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5beta-androstane-3alpha,17beta-diol

PropertiesImage
MNX_IDMNXM1107823 Image of MNXM1107823
referencechebi:36714
formulaC19H32O2
global charge0
mol weight292.463
InChIKeyCBMYJHIOYJEBSB-GCXXXECGSA-N
InChIInChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
SMILESC[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1 Image of MNXM1107823
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][C@@H:13]([OH:20])[CH2:11][C@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH:21])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]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:36714
chebi:36714
CBMYJHIOYJEBSB-GCXXXECGSA-N 		5beta-androstane-3alpha,17beta-diol
(3alpha,5beta,17beta)-androstane-3,17-diol
3alpha,17beta-dihydroxyetiocholane

sabiork.compound:23017
sabiorkM:23017
CBMYJHIOYJEBSB-GCXXXECGSA-N 		5beta-Androstane-3alpha,17beta-diol

lipidmaps:LMST02020077
lipidmapsM:LMST02020077
CBMYJHIOYJEBSB-GCXXXECGSA-N 		5beta-androstane-3alpha,17beta-diol
(3alpha,5beta,17beta)-androstane-3,17-diol
3alpha,17beta-dihydroxyetiocholane
5beta-androstane-3alpha,17beta-diol
O2
ST 19:0
hmdb:HMDB0000551
CBMYJHIOYJEBSB-GCXXXECGSA-N 		Etiocholanediol
(1S,2S,5R,7R,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol
(3a,5b,17b)-Androstane-3,17-diol
(3alpha,5beta,17beta)-Androstane-3,17-diol
(3alpha,5beta,17beta)-androstane-3,17-diol
3a,17b-Dihydroxyetiocholane
3alpha,17beta-Dihydroxyetiocholane
3alpha,17beta-dihydroxyetiocholane
5b-Androstane-3a,17b-diol
5beta-androstane-3alpha,17beta-diol
b-Androstane-3a,17b-diol
beta-Androstane-3a,17b-diol

hmdb:HMDB00551 		secondary/obsolete/fantasy identifier