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CHEBI:179724 - 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide

ChEBI IDCHEBI:179724
ChEBI Name3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O8
Net Charge0
Average Mass466.571
Monoisotopic Mass466.25667
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](O[C@H]1OC(C(=O)O)[C@@H](O)C(O)[C@H]1O)C2
InChIInChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18?,19-,20+,21?,23-,24-,25-/m0/s1
InChIKeyVFUIRAVTUVCQTF-YJBBFZLGSA-N
ChEBI Ontology
Outgoing Relation(s)
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide (CHEBI:179724) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(3S,5R,6S)-6-[[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMST05010061LIPID MAPS
59673884ChemSpider
HMDB0010365HMDB