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5beta-dihydrocortisol

MNXM735118 is deprecated and replaced by MNXM735117
PropertiesImage
MNX_IDMNXM735117 Image of MNXM735117
referencechebi:732
formulaC21H32O5
global charge0
mol weight364.482
InChIKeyACSFOIGNUQUIGE-AIPUTVCKSA-N
InChIInChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1
SMILESC[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
MNX internals
InChI (mnx)InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1 Image of MNXM735117
SMILES (mnx)[CH3:1][C@:19]12[CH2:7][CH2:5][C:13](=[O:23])[CH2:9][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:21]([C:17]([CH2:11][OH:22])=[O:25])([OH:26])[C@@:20]3([CH3:2])[CH2:10][C@H:16]([OH:24])[C@@H:18]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:732
chebi:732
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-dihydrocortisol
(5beta,11beta)-11,17,21-trihydroxypregnane-3,20-dione
11-beta,17,21-trihydroxy-5-beta-pregnane-3,20-dione
11beta,17alpha,21-trihydroxy-5beta-pregnane-3,20-dione
dihydrocortisol

sabiork.compound:7941
sabiorkM:7941
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione
5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione

lipidmaps:LMST02030204
lipidmapsM:LMST02030204
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-Dihydrocortisol
5beta-pregnane-11beta,17alpha,21-triol-3,20-dione
O5
ST 21:2

vmhM:C03682
vmhmetabolite:C03682
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione
(1S,2S,7R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one

seed.compound:cpd03252
seedM:cpd03252
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione
11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione

SLM:000485678
slm:000485678
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-dihydrocortisol

metacyc.compound:CPD-26231
metacycM:CPD-26231
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		5beta-dihydrocortisol
(5beta,11bbeta)-11,17,21-trihydroxypregnane-3,20-dione
11-beta,17,21-trihydroxy-5-beta-pregnane-3,20-dione
11beta,17alpha,21-trihydroxy-5beta-pregnane-3,20-dione
hmdb:HMDB0003259
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		Dihydrocortisol
(1S,2S,7R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
(5b,11b)-11,17,21-Trihydroxypregnane-3,20-dione
(5beta,11beta)-11,17,21-Trihydroxypregnane-3,20-dione
(5beta,11beta)-11,17,21-trihydroxypregnane-3,20-dione
11-b,17,21-Trihydroxy-5-b-pregnane-3,20-dione
11-beta,17,21-Trihydroxy-5-beta-pregnane-3,20-dione
11-beta,17,21-trihydroxy-5-beta-pregnane-3,20-dione
11beta,17,21-Trihydroxy-5beta-pregnane-3,20-dione
11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione
5-beta-Dihydrocortisol
5b-Pregnane-11b,17a,21-triol-3,20-dione
5beta-Dihydrocortisol
5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione
5beta-pregnane-11beta,17alpha,21-triol-3,20-dione

kegg.compound:C05471
keggC:C05471
ACSFOIGNUQUIGE-AIPUTVCKSA-N 		Dihydrocortisol
11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione
5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione

hmdb:HMDB0012460
hmdb:HMDB03259
hmdb:HMDB12460
keggC:M_C05471
seedM:M_cpd03252
vmhM:M_C03682 		secondary/obsolete/fantasy identifier