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

Properties

Image

Occurences in reactions

MNX_ID

MNXM732060

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₂₁H₃₄O₂

charge

mass

318.25588

reference

chebi:16229

InChIKey

AURFZBICLPNKBZ-GRWISUQFSA-N

InChI

InChI=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

SMILES

CC(=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16229 chebi:16229	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	3beta-Hydroxy-5beta-pregnane-20-one
seed.compound:cpd08628 seedM:cpd08628	3beta-Hydroxy-5beta-pregnane-20-one 3-beta-hydroxy-5-beta-pregnane-20-one
sabiork.compound:13883 sabiorkM:13883	3beta-Hydroxy-5beta-pregnane-20-one 3beta-Hydroxy-5beta-pregnan-20-one
lipidmaps:LMST02030185 lipidmapsM:LMST02030185	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	3beta-hydroxy-5beta-pregnane-20-one
hmdb:HMDB0001471	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-3b-hydroxy-5b-dihydroprogesterone 3-Deoxo-3beta-hydroxy-5beta-dihydroprogesterone 3-Hydroxypregnan-20-one 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