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3beta-hydroxy-5beta-pregnane-20-one

MNXM732061 is deprecated and replaced by MNXM732060
PropertiesImage
MNX_IDMNXM732060 Image of MNXM732060
referencechebi:16229
formulaC21H34O2
global charge0
mol weight318.501
InChIKeyAURFZBICLPNKBZ-GRWISUQFSA-N
InChIInChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1 Image of MNXM732060
SMILES (mnx)[CH3:1][C:13]([C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@@H:16]3[CH2:5][CH2:4][C@@H: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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16229
chebi:16229
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-hydroxy-5beta-pregnane-20-one
(3beta,5beta)-3-hydroxypregnan-20-one
3beta-Hydroxy-5beta-pregnane-20-one
3beta-hydroxy-5beta-pregnan-20-one
3beta-hydroxy-5beta-tetrahydroprogesterone
epipregnanolone

kegg.compound:C11825
keggC:C11825
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-Hydroxy-5beta-pregnane-20-one

seed.compound:cpd08628
seedM:cpd08628
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-Hydroxy-5beta-pregnane-20-one
3-beta-hydroxy-5-beta-pregnane-20-one

sabiork.compound:13883
sabiorkM:13883
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-Hydroxy-5beta-pregnane-20-one
3beta-Hydroxy-5beta-pregnan-20-one

lipidmaps:LMST02030185
lipidmapsM:LMST02030185
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-hydroxy-5beta-pregnan-20-one
(3beta,5beta)-3-hydroxypregnan-20-one
3beta-Hydroxy-5beta-pregnane-20-one
3beta-hydroxy-5beta-pregnan-20-one
3beta-hydroxy-5beta-pregnane-20-one
3beta-hydroxy-5beta-tetrahydroprogesterone
O2
ST 21:1
epipregnanolone

metacyc.compound:CPD-5961
metacycM:CPD-5961
AURFZBICLPNKBZ-GRWISUQFSA-N 		3beta-hydroxy-5beta-pregnane-20-one
hmdb:HMDB0001471
AURFZBICLPNKBZ-GRWISUQFSA-N 		Epipregnanolone
(3b,5b)-3-Hydroxypregnan-20-one
(3beta,5beta)-3-Hydroxypregnan-20-one
(3beta,5beta)-3-hydroxypregnan-20-one
1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one
1-[(1S,2S,5S,7R,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethanone
3 Hydroxypregnan 20 one
3-Deoxo-3beta-hydroxy-5beta-dihydroprogesterone
3-Hydroxypregnan-20-one
3-deoxo-3b-Hydroxy-5b-dihydroprogesterone
3b,5b-Pregnanolone
3b-Hydroxy-5b-pregnan-20-one
3b-Hydroxy-5b-pregnane-20-one
3b-Hydroxy-5b-tetrahydroprogesterone
3beta,5beta-Pregnanolone
3beta-Hydroxy-5beta-pregnan-20-one
3beta-Hydroxy-5beta-pregnane-20-one
3beta-Hydroxy-5beta-tetrahydroprogesterone
3beta-hydroxy-5beta-pregnan-20-one
3beta-hydroxy-5beta-pregnane-20-one
3beta-hydroxy-5beta-tetrahydroprogesterone
5b-Pregnan-3b-ol-20-one
5b-Pregnane-3b-hydroxy-20-one
5b-Pregnane-3b-ol-20-one
5beta-Pregnan-3beta-ol-20-one
5beta-Pregnane-3beta-hydroxy-20-one
5beta-Pregnane-3beta-ol-20-one
Pregnanolone I
Pregnanolone, (3beta)-isomer

hmdb:HMDB01471
chebi:11910
chebi:1721
keggC:M_C11825
seedM:M_cpd08628 		secondary/obsolete/fantasy identifier