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pregnenolone

PropertiesImageOccurences in reactions
MNX_IDMNXM735193Image of MNXM735193
#reac
in my sandbox 0
in MNXref (generic)41
in models (compartimentalized) 21
formulaC21H32O2
charge0
mass316.485
referencechebi:16581
InChIKeyORNBQBCIOKFOEO-QGVNFLHTSA-N
InChIInChI=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[CH3:1][C:13]([C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@@H:16]3[CH2:5][CH:4]=[C:14]4[CH2:12][C@@H:15]([OH:23])[CH2:8][CH2:10][C@:20]4([CH3:2])[C@H:19]3[CH2:9][CH2:11][C@:21]12[CH3:3])=[O:22]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
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
hmdb:HMDB0244633 3-Hydroxypregn-5-en-20-one
1-(beta-Hydroxyethyl)-4,6-dimethyl-1,2-dihydro-2-oxopyrimidine
1-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}ethan-1-one
N-(2-Hydroxyethyl)-4,6-dimethyl-2-dehydropyrimidone
Ximedon
Ximedone
Xymedon
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
vmhM:prgnlone
vmhmetabolite:prgnlone 		pregnenolone
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
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