Oxygen

pubchem

Oxygen

Vérifier sur pubchem

SMILES:O=O

InChI:InChI=1S/O2/c1-2

InChI key:MYMOFIZGZYHOMD-UHFFFAOYSA-N

Catégories (non exhaustives):

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
2.75
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
0.17
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-1.10
TrainValTest
Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.
low
TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Hydroxylation from CyProduct BTMR1328
Enzymes: Phenylalanine-4-hydroxylase
Reagents
psychonaut

Tyrosine

isomerdesign

Tyrosine

pubchem

Tyrosine

drugmap

L-tyrosine

wiki

Tyrosine

Hydroxylation from CyProduct BTMR1328
Enzymes: Phenylalanine-4-hydroxylase
Reagents

InChI=1S/C9H15N5O4/c...

Hydroxylation from CyProduct BTMR1328
Enzymes: Phenylalanine-4-hydroxylase
Reagents

InChI=1S/C9H13N5O3/c...

Oxygenation 3081
Enzymes: Homogentisate 1,2-dioxygenase
Reagents

InChI=1S/C8H8O6/c9-5...

Oxygenation 1044
Enzymes: Beta,beta-carotene 15,15'-monooxygenase
Reagents
drugmap

All-trans-retinal

Oxygenation 1045
Enzymes: Beta,beta-carotene 15,15'-monooxygenase
Reagents

Metabolite: InChI=1S/C40H56...

Oxygenation 1048
Enzymes: Beta,beta-carotene 9',10'-oxygenase
Reagents
pubchem

beta-Ionone

drugmap

Beta-ionone

Oxygenation 28
Enzymes: 3-hydroxyanthranilate 3,4-dioxygenase
Reagents

Metabolite: InChI=1S/C7H7NO...

Oxygenation 5665
Enzymes: Trimethyllysine dioxygenase, mitochondrial
Reagents

Metabolite: InChI=1S/C9H20N...

Oxygenation 5665
Enzymes: Trimethyllysine dioxygenase, mitochondrial
Reagents
pubchem

Succinic Acid

drugmap

Succinic acid

Oxygenation 5665
Enzymes: Trimethyllysine dioxygenase, mitochondrial
Reagents
pubchem

Carbon Dioxide

Oxygenation 3107
Enzymes: Heme oxygenase 1
Reagents

Metabolite: InChI=1S/C33H34...

Redox reaction 4643
Enzymes: Pirin
Reagents

Metabolite: InChI=1S/C14H10...

Oxygenation 3108
Enzymes: Heme oxygenase 1
Reagents
pubchem

Carbon Monoxide

Hydroxylation from CyProduct BTMR1328
Enzymes: Tryptophan 5-hydroxylase 1
Reagents
psychonaut

5-Hydroxytryptophan

tripsit

5-htp

isomerdesign

5-HTP

pubchem

5-Hydroxytryptophan

druglab

5-hydroxytryptophane

drugmap

5-hydroxy-L-tryptophan

wiki

5-Hydroxytryptophan

Oxygenation 3118
Enzymes: 4-hydroxyphenylpyruvate dioxygenase
Reagents

InChI=1S/C8H8O4/c9-6...

Oxygenation 3119
Enzymes: 4-hydroxyphenylpyruvate dioxygenase
Reagents

InChI=1S/C8H8O3/c9-7...

Oxygenation 2098
Enzymes: Squalene monooxygenase
Reagents

Metabolite: InChI=1S/C30H50...

Oxygenation 1086
Enzymes: Gamma-butyrobetaine dioxygenase
Reagents
pubchem

Levocarnitine

drugmap

Levacecarnine HCL

Oxygenation 1105
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents

Metabolite: InChI=1S/C21H30...

Oxygenation 1106
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents
drugmap

NPC-01

Oxygenation 1107
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents
pubchem

Hydrocortisone

drugmap

Hydrocortisone

wiki

Hydrocortisone

Oxygenation 1108
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents

Metabolite: InChI=1S/C21H30...

Oxygenation 1109
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents
drugmap

(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE

Oxygenation 1110
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents

Metabolite: InChI=1S/C21H32...

Oxygenation 1111
Enzymes: Cytochrome P450 11B1, mitochondrial
Reagents
drugmap

Aldosterone

Oxygenation 1113
Enzymes: Cytochrome P450 11B2, mitochondrial
Reagents

Metabolite: InChI=1S/C21H30...

Oxygenation 5729
Enzymes: Tyrosine 3-monooxygenase
Reagents
isomerdesign

DL-Dopa

pubchem

Levodopa

drugmap

Levodopa

wiki

L-DOPA

wiki

D-DOPA

Redox reaction 5735
Enzymes: Tyrosinase
Reagents
wiki

L-Dopaquinone

Redox reaction 5740
Enzymes: Tyrosinase
Reagents
isomerdesign

Dopamine

pubchem

Dopamine

drugmap

Dopamine

wiki

Dopamine

wiki

Dopamine (medication)

Redox reaction 5741
Enzymes: Tyrosinase
Reagents

Metabolite: InChI=1S/C18H21...

Redox reaction 5742
Enzymes: Tyrosinase
Reagents

InChI=1S/C8H5NO2/c10...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Reagents
pubchem

Glyoxylic acid

drugmap

Glyoxalate, Glyoxylate

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C5H9NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C5H7NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C5H7NO...

Oxidation from CyProduct BTMR1330
Enzymes: D-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C16H18...

Oxidation from CyProduct BTMR1330
Enzymes: D-aspartate oxidase
Reagents
drugmap

Oxalacetic acid

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents
drugmap

Uric acid

Oxidation from CyProduct BTMR1330
Enzymes: Lathosterol oxidase
Reagents
drugmap

Provitamin D3

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents
drugmap

Xanthine

wiki

Xanthine

Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Reagents

InChI=1S/C5H8O3S/c1-...

Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Reagents

Metabolite: InChI=1S/C11H9N...

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents

Metabolite: InChI=1S/C6H6N4...

Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Reagents

InChI=1S/C9H8O3/c10-...

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents

Metabolite: InChI=1S/C7H8N4...

Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Reagents
drugmap

4-hydroxyphenylpyruvic acid

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents

Metabolite: InChI=1S/C7H8N4...

Oxidation from CyProduct BTMR1330
Enzymes: L-amino-acid oxidase
Reagents

InChI=1S/C6H10O3/c1-...

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents

Metabolite: InChI=1S/C6H6N4...

Dehydrogenation from CyProduct BTMR1338
Enzymes: Xanthine dehydrogenase/oxidase
Reagents

Metabolite: InChI=1S/C5H4N4...

Redox reaction 1163
Enzymes: Catalase
Reagents

Metabolite: InChI=1S/C14H8N...

Oxidation from CyProduct BTMR1330
Enzymes: Amiloride-sensitive amine oxidase [copper-containing]
Reagents

InChI=1S/C5H6N2O/c8-...

Oxygenation 3214
Enzymes: Indoleamine 2,3-dioxygenase 1
Reagents

InChI=1S/C11H12N2O4/...

Oxidation from CyProduct BTMR1330
Enzymes: Amiloride-sensitive amine oxidase [copper-containing]
Reagents

InChI=1S/C4H9NO/c5-3...

Oxygenation 3215
Enzymes: Indoleamine 2,3-dioxygenase 1
Reagents

Metabolite: InChI=1S/C11H12...

Oxidation from CyProduct BTMR1330
Enzymes: Amiloride-sensitive amine oxidase [copper-containing]
Reagents

InChI=1S/C10H9NO/c12...

Oxygenation 3216
Enzymes: Indoleamine 2,3-dioxygenase 1
Reagents

InChI=1S/C11H12N2O5/...

Oxygenation 3217
Enzymes: Indoleamine 2,3-dioxygenase 1
Reagents

InChI=1S/C10H12N2O3/...

Oxygenation 3218
Enzymes: Indoleamine 2,3-dioxygenase 1
Reagents

InChI=1S/C13H16N2O4/...

Hydroxylation from CyProduct BTMR1328
Enzymes: Prolyl 4-hydroxylase subunit alpha-1
Reagents

InChI=1S/C5H9NO3/c7-...

Oxygenation 1193
Enzymes: Cysteine dioxygenase type 1
Reagents
drugmap

3-Sulfinoalanine

Oxidation from CyProduct BTMR1330
Enzymes: Pyridoxine-5'-phosphate oxidase
Reagents
drugmap

Pyridoxal Phosphate

Oxidation from CyProduct BTMR1330
Enzymes: Pyridoxine-5'-phosphate oxidase
Reagents

Metabolite: InChI=1S/C8H9NO...

Oxygenation 2227
Enzymes: Dimethylaniline monooxygenase [N-oxide-forming] 1
Reagents

Metabolite: InChI=1S/C8H11N...

Oxygenation 2228
Enzymes: Dimethylaniline monooxygenase [N-oxide-forming] 1
Reagents

Metabolite: InChI=1S/C3H9NO...

Oxygenation 2229
Enzymes: Dimethylaniline monooxygenase [N-oxide-forming] 1
Reagents

Metabolite: InChI=1S/C26H29...

Oxygenation 3766
Enzymes: Inositol oxygenase
Reagents
drugmap

D-glucuronate

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Reagents
isomerdesign

Norepinephrine

pubchem

Norepinephrine

drugmap

Norepinephrine

wiki

Norepinephrine

wiki

Norepinephrine (medication)

Hydroxylation from CyProduct BTMR1328
Enzymes: Dopamine beta-hydroxylase
Reagents
drugmap

Dehydroascorbic acid

Hydroxylation from CyProduct BTMR1328
Enzymes: Cholesterol 25-hydroxylase
Reagents
drugmap

25-hydroxycholesterol

Oxygenation 3820
Enzymes: Methylsterol monooxygenase 1
Reagents

Metabolite: InChI=1S/C29H50...

Oxygenation 3821
Enzymes: Methylsterol monooxygenase 1
Reagents

Metabolite: InChI=1S/C29H48...

Oxygenation 3822
Enzymes: Methylsterol monooxygenase 1
Reagents

Metabolite: InChI=1S/C29H48...

Oxidation from CyProduct BTMR1330
Enzymes: Spermine oxidase
Reagents
drugmap

Spermidine

wiki

Spermidine

Oxidation from CyProduct BTMR1330
Enzymes: Spermine oxidase
Reagents

InChI=1S/C3H7NO/c4-2...

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal sarcosine oxidase
Reagents
isomerdesign

Gly

pubchem

Glycine

drugmap

Glycine

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal sarcosine oxidase
Reagents
pubchem

Formaldehyde

drugmap

Formaldehyde

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal sarcosine oxidase
Reagents

Metabolite: InChI=1S/C6H9NO...

Oxidation from CyProduct BTMR1330
Enzymes: Protoporphyrinogen oxidase
Reagents

Metabolite: InChI=1S/C34H34...

Oxygenation 3864
Enzymes: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase
Reagents
pubchem

Formic Acid

drugmap

Formic Acid

Oxygenation 3865
Enzymes: 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase
Reagents

InChI=1S/C4H8O2S/c1-...

Redox reaction 2340
Enzymes: Uncharacterized protein C5orf4
Reagents

Metabolite: InChI=1S/C29H46...

Peroxidation 4901
Enzymes: Peroxiredoxin-6
Reagents

InChI=1S/C8H9NO/c9-8...

Oxygenation 806
Enzymes: Alkylglycerol monooxygenase
Reagents
drugmap

7,8-dihydrobiopterin

Oxygenation 4396
Enzymes: Phytanoyl-CoA dioxygenase, peroxisomal
Reagents

Metabolite: InChI=1S/C41H74...

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
Reagents

Metabolite: InChI=1S/C5H9NO...

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
Reagents
pubchem

1,4-Diaminobutane

drugmap

Putrescine

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
Reagents

Metabolite: InChI=1S/C9H21N...

Oxidation from CyProduct BTMR1330
Enzymes: Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
Reagents

Metabolite: InChI=1S/C6H11N...

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents
isomerdesign

p-Hydroxyphenylacetaldehyde

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents
pubchem

Methylglyoxal

drugmap

methylglyoxal

wiki

Methylglyoxal

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents
isomerdesign

Phenylacetaldehyde

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents

Metabolite: InChI=1S/C5H10N...

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents
isomerdesign

3,4-Dihydroxyphenylacetaldehyde

drugmap

3,4-dihydroxyphenylacetaldehyde

Oxidation from CyProduct BTMR1330
Enzymes: Retina-specific copper amine oxidase
Reagents

Metabolite: InChI=1S/C5H11N...

Oxygenation 3413
Enzymes: Kynurenine 3-monooxygenase
Reagents

Metabolite: InChI=1S/C10H12...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents
isomerdesign

3,4-Dihydroxyphenylglycolic aldehyde

Oxygenation 1368
Enzymes: Ubiquinone biosynthesis monooxygenase COQ6
Reagents

Metabolite: InChI=1S/C37H54...

Oxygenation 1369
Enzymes: Ubiquinone biosynthesis monooxygenase COQ6
Reagents

Metabolite: InChI=1S/C17H22...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

InChI=1S/C10H9NO2/c1...

Redox reaction 1370
Enzymes: Ubiquinone biosynthesis protein COQ7 homolog
Reagents

Metabolite: InChI=1S/C38H56...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents
isomerdesign

Methylamine

pubchem

Methylamine

drugmap

[14C]methylamine

Redox reaction 1371
Enzymes: Ubiquinone biosynthesis protein COQ7 homolog
Reagents

InChI=1S/C18H24O4/c1...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

InChI=1S/C6H11NO2/c1...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

InChI=1S/C6H8N2O/c1-...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

InChI=1S/C9H10O3/c1-...

Oxygenation 1375
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents
isomerdesign

3β-Hydroxypregn-5-en-20-one

drugmap

Pregnenolone

wiki

Pregnenolone

wiki

Pregnenolone (medication)

Oxygenation 1375
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents

Metabolite: InChI=1S/C6H12O...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

InChI=1S/C9H10O4/c1-...

Oxygenation 1376
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents

Metabolite: InChI=1S/C27H46...

Oxygenation 1377
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents
drugmap

22R-hydroxycholesterol

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C9H7NO...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C9H7NO...

Oxygenation 1379
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents
drugmap

17alpha-hydroxypregnenolone

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents

Metabolite: InChI=1S/C18H14...

Oxidation from CyProduct BTMR1330
Enzymes: Amine oxidase [flavin-containing] A
Reagents
pubchem

Dimethylamine

Oxygenation 1380
Enzymes: Cholesterol side-chain cleavage enzyme, mitochondrial
Reagents

Metabolite: InChI=1S/C27H46...

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 17-alpha-hydroxylase/17,20 lyase
Reagents
pubchem

Hydroxyprogesterone

drugmap

Hydroxyprogesterone

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 17-alpha-hydroxylase/17,20 lyase
Reagents

Metabolite: InChI=1S/C27H46...

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 17-alpha-hydroxylase/17,20 lyase
Reagents
drugmap

Prasterone

wiki

Prasterone

wiki

Dehydroepiandrosterone

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 17-alpha-hydroxylase/17,20 lyase
Reagents
pubchem

Acetic Acid

drugmap

Acetic Acid, Glacial

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 17-alpha-hydroxylase/17,20 lyase
Reagents
isomerdesign

Androstenedione

pubchem

Androstenedione

drugmap

4-ANDROSTENE-3-17-DIONE

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 21-hydroxylase
Reagents
psychonaut

DOC

tripsit

doc

druglab

DOC

drugmap

Deoxycorticosterone

Oxidation from CyProduct BTMR1330
Enzymes: Prenylcysteine oxidase 1
Reagents
pubchem

[14C] beta-Mercaptoalanine

pubchem

Cysteine

drugmap

L-Cysteine

Oxidation from CyProduct BTMR1330
Enzymes: Prenylcysteine oxidase 1
Reagents

Metabolite: InChI=1S/C15H24...

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 21-hydroxylase
Reagents

Metabolite: InChI=1S/C21H30...

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 21-hydroxylase
Reagents

Metabolite: InChI=1S/C21H32...

Hydroxylation from CyProduct BTMR1328
Enzymes: Steroid 21-hydroxylase
Reagents

Metabolite: InChI=1S/C21H32...

Hydroxylation from CyProduct BTMR1328
Enzymes: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H44...

Hydroxylation from CyProduct BTMR1328
Enzymes: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H44...

Hydroxylation from CyProduct BTMR1328
Enzymes: 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H44...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H46...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H48...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H48...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents
drugmap

27-hydroxycholesterol

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H42...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C27H44...

Hydroxylation from CyProduct BTMR1328
Enzymes: Sterol 26-hydroxylase, mitochondrial
Reagents

Metabolite: InChI=1S/C21H32...

Hydroxylation from CyProduct BTMR1328
Enzymes: 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
Reagents
pubchem

Calcitriol

drugmap

Calcitriol

Oxygenation 1422
Enzymes: Cytochrome P450 2C9
Reagents
drugmap

carveol

Oxygenation 1423
Enzymes: Cytochrome P450 2C9
Reagents

Metabolite: InChI=1S/C10H16...

Oxygenation 1430
Enzymes: Cytochrome P450 2E1
Reagents

Metabolite: InChI=1S/C6H5NO...

Hydroxylation from CyProduct BTMR1328
Enzymes: Vitamin D 25-hydroxylase
Reagents
drugmap

Calcidiol

Hydroxylation from CyProduct BTMR1328
Enzymes: 24-hydroxycholesterol 7-alpha-hydroxylase
Reagents

Metabolite: InChI=1S/C27H46...

Oxygenation 1439
Enzymes: Cytochrome P450 3A4
Reagents

Metabolite: InChI=1S/C20H24...

Oxygenation 1440
Enzymes: Cytochrome P450 3A4
Reagents

Metabolite: InChI=1S/C26H45...

Oxygenation 1441
Enzymes: Cytochrome P450 3A4
Reagents
drugmap

Hyodeoxycholic acid

Oxygenation 1442
Enzymes: Cytochrome P450 3A4
Reagents

Metabolite: InChI=1S/C12H15...

Hydroxylation from CyProduct BTMR1328
Enzymes: Cholesterol 24-hydroxylase
Reagents
drugmap

24(S)-hydroxycholesterol

Oxygenation 1447
Enzymes: Cytochrome P450 4A11
Reagents
pubchem

1-Octanol

drugmap

Octanol

Oxygenation 1448
Enzymes: Cytochrome P450 4A11
Reagents
pubchem

Glycolic Acid

drugmap

Hydroxyacetic acid

Oxygenation 1449
Enzymes: Cytochrome P450 4A11
Reagents
drugmap

20-HETE

Oxygenation 1450
Enzymes: Cytochrome P450 4A11
Reagents

Metabolite: InChI=1S/C20H32...

Oxygenation 1451
Enzymes: Cytochrome P450 4A11
Reagents

Metabolite: InChI=1S/C20H28...

Hydroxylation from CyProduct BTMR1328
Enzymes: Leukotriene-B(4) omega-hydroxylase 1
Reagents
drugmap

20-hydroxy-LTB4

Oxygenation 3506
Enzymes: Arachidonate 5-lipoxygenase
Reagents

Metabolite: InChI=1S/C20H30...

Oxidation from CyProduct BTMR1330
Enzymes: Aldehyde oxidase
Reagents

Metabolite: InChI=1S/C8H9NO...

Oxidation from CyProduct BTMR1330
Enzymes: Aldehyde oxidase
Reagents

InChI=1S/C7H8N2O2/c1...

Oxidation from CyProduct BTMR1330
Enzymes: Aldehyde oxidase
Reagents
drugmap

5-hydroxy-1H-indole-3-acetic acid

wiki

5-Hydroxyindoleacetic acid

Oxidation from CyProduct BTMR1330
Enzymes: Aldehyde oxidase
Reagents

Metabolite: InChI=1S/C18H14...

Oxidation from CyProduct BTMR1330
Enzymes: Aldehyde oxidase
Reagents

InChI=1S/C7H8N2O2/c1...

Demethylation 1475
Enzymes: Lanosterol 14-alpha demethylase
Reagents

Metabolite: InChI=1S/C29H46...

Demethylation 1476
Enzymes: Lanosterol 14-alpha demethylase
Reagents

Metabolite: InChI=1S/C29H46...

Oxygenation 1478
Enzymes: Cholesterol 7-alpha-monooxygenase
Reagents
drugmap

7alpha-hydroxycholesterol

Oxygenation 455
Enzymes: 2-aminoethanethiol dioxygenase
Reagents

InChI=1S/C2H7NO2S/c3...

Oxygenation 1480
Enzymes: Cholesterol 7-alpha-monooxygenase
Reagents
drugmap

7alpha,27-dihydroxycholesterol

Oxygenation 1481
Enzymes: Cholesterol 7-alpha-monooxygenase
Reagents

Metabolite: InChI=1S/C19H28...

Hydroxylation from CyProduct BTMR1328
Enzymes: 25-hydroxycholesterol 7-alpha-hydroxylase
Reagents
drugmap

7alpha,25-dihydroxycholesterol

Hydroxylation from CyProduct BTMR1328
Enzymes: 25-hydroxycholesterol 7-alpha-hydroxylase
Reagents

Metabolite: InChI=1S/C27H44...

Hydroxylation from CyProduct BTMR1328
Enzymes: 25-hydroxycholesterol 7-alpha-hydroxylase
Reagents

Metabolite: InChI=1S/C21H32...

Hydroxylation from CyProduct BTMR1328
Enzymes: 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase
Reagents

Metabolite: InChI=1S/C27H44...

Synthesis 4050
Enzymes: Nitric oxide synthase, brain
Reagents
drugmap

L-citrulline

Synthesis 4053
Enzymes: Nitric oxide synthase, brain
Reagents
drugmap

N-Omega-Hydroxy-L-Arginine

Oxidation from CyProduct BTMR1330
Enzymes: Coproporphyrinogen-III oxidase, mitochondrial
Reagents

Metabolite: InChI=1S/C34H40...