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5beta-Pregnane-3alpha,17alpha,20alpha-triol

PropertiesImage
MNX_IDMNXM38401 Image of MNXM38401
referencechebi:34464
formulaC21H36O3
global charge0
mol weight336.516
InChIKeySCPADBBISMMJAW-UHHUKTEYSA-N
InChIInChI=1S/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1
SMILESC[C@H](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/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 Image of MNXM38401
SMILES (mnx)[CH3:1][C@@H: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])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd10378
seedM:cpd10378
CHEBI:34464
chebi:34464
kegg.compound:C14680
keggC:C14680
SCPADBBISMMJAW-UHHUKTEYSA-N 		5beta-Pregnane-3alpha,17alpha,20alpha-triol
hmdb:HMDB0256756
SCPADBBISMMJAW-UHFFFAOYSA-N 		3,17,20-Trihydroxypregnane
14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol
5-beta-Pregnane-3,17,20-triol
Pregnanetriol

CHEBI:233717
chebi:233717
SCPADBBISMMJAW-UHFFFAOYSA-N 		5a-pregnane-3a,17a,20a-triol
1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol
1-(1-hydroxyethyl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-1,7-diol
hmdb:HMDB0006070
SCPADBBISMMJAW-HWPIAJDMSA-N 		Pregnanetriol
(1S,2S,5R,7R,10R,11S,14R,15S)-14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol
5-beta-Pregnane-3,17,20-triol
5beta-Pregnane-3alpha,17alpha,20alpha-triol

hmdb:HMDB06070
keggC:M_C14680
seedM:M_cpd10378 		secondary/obsolete/fantasy identifier