pregnenolone

Chemical Formula:

C₂₁H₃₂O₂

Molecular Weight:

316.483 Daltons

Monoisotopic Mass:

316.2402302714 Daltons

SMILES:

CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey:

ORNBQBCIOKFOEO-QGVNFLHTSA-N

Synonyms

1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
5-pregnen-3-β-ol-20-one
3-β-hydroxypregn-5-en-20-one
3beta-hydroxypregn-5-en-20-one

Databases

MetaCyc: PREGNENOLONE

RefMet: Pregnenolone

MetaboLights: MTBLC16581

HMDB: HMDB00253

LIPID MAPS: LMST02030088

DRUGBANK: DB02789

Wikipedia: Pregnenolone

ChemSpider: 8611

ChEBI: 16581

PubChem (CID): 8955

KEGG: C01953

CAS: 145-13-1

Seed: cpd01342

MetaNetX: MNXM385

KNApSAcK: C00047082

NIKKAJI: J11.381F

PDB-CCD: PLO

CHEMBL: CHEMBL77462 CHEMBL253363

PupChem (SID): 5056