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pregnenolone

Properties

Image

Occurences in reactions

MNX_ID

MNXM735193

	#reac
in my sandbox	0
in MNXref (generic)	31
in models (compartimentalized)	25

formula

C₂₁H₃₂O₂

charge

mass

316.24023

reference

chebi:16581

InChIKey

ORNBQBCIOKFOEO-QGVNFLHTSA-N

InChI

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

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193103 reactomeM:R-ALL-193103 reactome:R-ALL-193164 reactomeM:R-ALL-193164 CHEBI:16581 chebi:16581	pregnenolone (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE 3beta-Hydroxypregn-5-en-20-one 3beta-hydroxypregn-5-en-20-one 5-Pregnen-3beta-ol-20-one Pregnenolone
kegg.drug:D00143 keggD:D00143	Pregnenolone (JAN/INN)
hmdb:HMDB0000253	Pregnenolone (3BETA)-3-HYDROXYPREGN-5-en-20-one (3b)-3-HYDROXYPREGN-5-en-20-one (3beta)-3-hydroxypregn-5-en-20-one 1-[(1S,2R,5S,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethan-1-one 1-[(1S,2R,5S,10S,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethanone 3b-Hydroxypregn-5-en-20-one 3beta-Hydroxypregn-5-en-20-one 3beta-hydroxypregn-5-en-20-one 5 Pregnen 3 beta ol 20 one 5-Pregnen-3-beta-ol-20-one 5-Pregnen-3b-ol-20-one 5-Pregnen-3beta-ol-20-one
seed.compound:cpd01342 seedM:cpd01342	Pregnenolone 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 3-beta-hydroxypregn-5-en-20-one 3beta-Hydroxypregn-5-en-20-one 3beta-hydroxypregn-5-en-20-one 5-Pregnen-3beta-ol-20-one 5-pregnen-3-beta-ol-20-one pregnenolone
sabiork.compound:5908 sabiorkM:5908 kegg.compound:C01953 keggC:C01953	Pregnenolone 3beta-Hydroxypregn-5-en-20-one 5-Pregnen-3beta-ol-20-one
lipidmaps:LMST02030088 lipidmapsM:LMST02030088	Pregnenolone 3beta-hydroxypregn-5-en-20-one O2 ST 21:2
bigg.metabolite:prgnlone biggM:prgnlone	Prgnlone c
SLM:000000993 slm:000000993	pregnenolone
metacyc.compound:PREGNENOLONE metacycM:PREGNENOLONE	pregnenolone 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 3-beta-hydroxypregn-5-en-20-one 3beta-hydroxypregn-5-en-20-one 5-pregnen-3-beta-ol-20-one
hmdb:HMDB00253 chebi:14881 chebi:26241 chebi:45027 chebi:8388 chebi:86573 biggM:M_prgnlone keggC:M_C01953 keggD:M_D00143 seedM:M_cpd01342	secondary/obsolete/fantasy identifier