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17alpha-hydroxypregnenolone

MNXM162733 is deprecated and here replaced by MNXM730460
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730460 Image of MNXM730460
referencechebi:28750
formulaC21H32O3
global charge0
mol weight332.484
InChIKeyJERGUCIJOXJXHF-TVWVXWENSA-N
InChIInChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
SMILESCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 Image of MNXM730460
SMILES (mnx)[CH3:1][C:13]([C@@:21]1([OH:24])[CH2:11][CH2:8][C@H:18]2[C@@H:16]3[CH2:5][CH:4]=[C:14]4[CH2:12][C@@H:15]([OH:23])[CH2:6][CH2:9][C@:19]4([CH3:2])[C@H:17]3[CH2:7][CH2:10][C@@:20]21[CH3:3])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)30
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-193124
reactomeM:R-ALL-193124
CHEBI:28750
chebi:28750
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-hydroxypregnenolone
(3beta)-3,17-dihydroxypregn-5-en-20-one
17-hydroxypregnenolone
17alpha-Hydroxypregnenolone
3beta,17-dihydroxypregn-5-en-20-one
5-pregnen-3beta,17alpha-diol-20-one

metacyc.compound:CPD66-23
metacycM:CPD66-23
JERGUCIJOXJXHF-TVWVXWENSA-N 		17-alpha-hydroxypregnenolone
hmdb:HMDB0000363
JERGUCIJOXJXHF-TVWVXWENSA-N 		17a-Hydroxypregnenolone
(3b)-3,17-Dihydroxypregn-5-en-20-one
(3beta)-3,17-Dihydroxypregn-5-en-20-one
(3beta)-3,17-dihydroxypregn-5-en-20-one
1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethan-1-one
1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethanone
17 Hydroxypregnenolone
17 alpha Hydroxypregnenolone
17 alpha-Hydroxypregnenolone
17-Hydroxy-D5-pregnenolone
17-Hydroxypregnenolone
17-Hydroxypregnenolone, (3alpha)-isomer
17-Hydroxypregnenolone, (3beta,13alpha)-isomer
17-Hydroxypregnenolone, (3beta,13alpha,17alpha)-isomer
17-Hydroxypregnenolone, (3beta,17alpha)-isomer
17-OH-Pregnenolone
17-alpha-Hydroxypregnenolone
17a-Hydroxypregnolone
17alpha Hydroxypregnenolone
17alpha-Hydroxypregnanolone
17alpha-Hydroxypregnenolone
3b,17-Dihydroxy-5-pregnen-20-one
3b,17-Dihydroxy-pregn-5-en-20-one
3b,17a-Dihydroxypregn-5-en-20-one
5-Pregnen-3b,17a-diol-20-one
5-Pregnen-3beta,17alpha-diol-20-one
Hydroxypregnenolone

bigg.metabolite:17ahprgnlone
biggM:17ahprgnlone
sabiork.compound:7760
sabiorkM:7760
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-Hydroxypregnenolone

seed.compound:cpd03058
seedM:cpd03058
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-Hydroxypregnenolone
17-alpha-hydroxypregnenolone

kegg.compound:C05138
keggC:C05138
JERGUCIJOXJXHF-BZXJGPHVSA-N 		17alpha-Hydroxypregnenolone
3-beta,17alpha-Dihydroxypregn-5-en-20-one

SLM:000501484
slm:000501484
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-hydroxypregnenolone

vmhM:17ahprgnlone
vmhmetabolite:17ahprgnlone
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-hydroxypregnenolone
1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethan-1-one

lipidmaps:LMST02030089
lipidmapsM:LMST02030089
JERGUCIJOXJXHF-TVWVXWENSA-N 		17alpha-hydroxypregnenolone
3beta,17alpha-dihydroxypregn-5-en-20-one
O3
ST 21:2

hmdb:HMDB00363
chebi:19172
chebi:789
biggM:M_17ahprgnlone
keggC:M_C05138
seedM:M_cpd03058
vmhM:M_17ahprgnlone 		secondary/obsolete/fantasy identifier