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5beta-dihydrocorticosterone

PropertiesImage
MNX_IDMNXM3432 Image of MNXM3432
referencechebi:86381
formulaC21H32O4
global charge0
mol weight348.483
InChIKeyCTTOFMJLOGMZRN-BBWLNIHDSA-N
InChIInChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,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](C(=O)CO)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,19-,20+,21+/m1/s1 Image of MNXM3432
SMILES (mnx)[CH3:1][C@:20]12[CH2:8][CH2:7][C:13](=[O:23])[CH2:9][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:16]([C:18]([CH2:11][OH:22])=[O:25])[C@@:21]3([CH3:2])[CH2:10][C@H:17]([OH:24])[C@@H:19]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86381
chebi:86381
CTTOFMJLOGMZRN-BBWLNIHDSA-N 		5beta-dihydrocorticosterone
(5beta,11beta)-11,21-dihydroxypregnane-3,20-dione
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
11beta,21-dihydroxy-5beta-pregnane-3,20-dione
5beta-Pregnane-11beta,21-diol-3,20-dione

sabiork.compound:7945
sabiorkM:7945
kegg.compound:C05475
keggC:C05475
CTTOFMJLOGMZRN-BBWLNIHDSA-N
CTTOFMJLOGMZRN-UHFFFAOYSA-N 		11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
5beta-Pregnane-11beta,21-diol-3,20-dione

lipidmaps:LMST02030280
lipidmapsM:LMST02030280
CTTOFMJLOGMZRN-BBWLNIHDSA-N 		5beta-Dihydrocorticosterone
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione
5beta-Pregnane-11beta,21-diol-3,20-dione
O4
ST 21:2

seed.compound:cpd03256
seedM:cpd03256
CTTOFMJLOGMZRN-BBWLNIHDSA-N 		5beta-Pregnane-11beta,21-diol-3,20-dione
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione

SLM:000485682
slm:000485682
CTTOFMJLOGMZRN-BBWLNIHDSA-N 		5beta-dihydrocorticosterone

metacyc.compound:CPD-26229
metacycM:CPD-26229
CTTOFMJLOGMZRN-BBWLNIHDSA-N 		5beta-dihydrocorticosterone
(5beta,11beta)-11,21-dihydroxypregnane-3,20-dione
11beta,21-dihydroxy-5beta-pregnane-3,20-dione
5beta-pregnane-11beta,21-diol-3,20-dione
hmdb:HMDB0251299
CTTOFMJLOGMZRN-UHFFFAOYSA-N 		dihydrocorticosterone
17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one
5b-Pregnane-11b,21-diol-3,20-dione
5beta-Pregnane-11beta,21-diol-3,20-dione
5beta-pregnane-11beta,21-diol-3,20-dione

chebi:735
keggC:M_C05475
seedM:M_cpd03256 		secondary/obsolete/fantasy identifier