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CHEBI:176154 - 3-alpha-Androstanediol glucuronide

ChEBI IDCHEBI:176154
ChEBI Name3-alpha-Androstanediol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O8
Net Charge0
Average Mass468.587
Monoisotopic Mass468.27232
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2
InChIInChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKeyGYNWSIBKBBWJJW-PAXPDMBVSA-N
ChEBI Ontology
Outgoing Relation(s)
3-alpha-Androstanediol glucuronide (CHEBI:176154) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMST05010039LIPID MAPS
24850127ChemSpider