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3alpha,17alpha-dihydroxy-5alpha-pregnan-20-one

PropertiesImage
MNX_IDMNXM1132672 Image of MNXM1132672
referencechebi:194477
formulaC21H34O3
global charge0
mol weight334.5
InChIKeyLKQDFQLSEHWIRK-JRRMKBMNSA-N
InChIInChI=1S/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
SMILESCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1 Image of MNXM1132672
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][CH2:4][C@H: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)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194477
chebi:194477
LKQDFQLSEHWIRK-JRRMKBMNSA-N 		3alpha,17alpha-dihydroxy-5alpha-pregnan-20-one
(3alpha,5alpha)-3,17-dihydroxypregnan-20-one
17-OH allopregnanolone
17alpha-hydroxyallopregnanolone
3alpha,17-dihydroxy-5alpha-pregnan-20-one
5alpha-Pregnan-3alpha,17-diol-20-one
5alpha-pregnan-3alpha,17alpha-diol-20-one
5alpha-pregnane-3alpha,17alpha-diol-20-one

metacyc.compound:CPD-23963
metacycM:CPD-23963
LKQDFQLSEHWIRK-JRRMKBMNSA-N 		17-hydroxybrexanolone
17-hydroxy-3alpha-allopregnanolone

lipidmaps:LMST02030305
lipidmapsM:LMST02030305
LKQDFQLSEHWIRK-JRRMKBMNSA-N 		17alpha-hydroxy-alloprogesterone
5-alpha-pregnane-3-alpha, 17alpha-diol-20-one
O3
ST 21:1

kegg.compound:C22832
keggC:C22832
LKQDFQLSEHWIRK-JRRMKBMNSA-N 		5alpha-Pregnane-3alpha,17alpha-diol-20-one
17alpha-Hydroxyallopregnanolone
3alpha,17alpha-Dihydroxy-5alpha-pregnan-20-one

chebi:233715
keggC:M_C22832 		secondary/obsolete/fantasy identifier