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CHEBI:88733 - 11-beta-Hydroxyandrosterone-3-glucuronide

ChEBI IDCHEBI:88733
ChEBI Name11-beta-Hydroxyandrosterone-3-glucuronide
Stars
DownloadsMolfile
FormulaC25H38O9
Net Charge0
Average Mass482.570
Monoisotopic Mass482.25158
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)C[C@H](O)[C@]3([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/C25H38O9/c1-24-8-7-12(33-23-20(30)18(28)19(29)21(34-23)22(31)32)9-11(24)3-4-13-14-5-6-16(27)25(14,2)10-15(26)17(13)24/h11-15,17-21,23,26,28-30H,3-10H2,1-2H3,(H,31,32)/t11-,12+,13-,14-,15-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChIKeyBRPLOVMHAFXVOQ-HUMIJZDLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22624806)
ChEBI Ontology
Outgoing Relation(s)
11-beta-Hydroxyandrosterone-3-glucuronide (CHEBI:88733) is a steroid glucosiduronic acid (CHEBI:26763)
Synonyms  Source
11-beta-Hydroxyetiocholanolone-3-glucuronideHMDB
11beta-hydroxyandrosterone 3-glucuronideHMDB
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10S,11S,15S,17S)-17-hydroxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0010351HMDB
Beta-D-GlucuronidesMetaCyc
Citations