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CHEBI:133505 - etiocholanolone 3-glucuronide(1−)

Default Structure
ChEBI IDCHEBI:133505
ChEBI Nameetiocholanolone 3-glucuronide(1−)
Stars
ASCII Nameetiocholanolone 3-glucuronide(1-)
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of etiocholanolone 3-glucuronide.
Last Modified29 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H37O8
Net Charge-1
Average Mass465.563
Monoisotopic Mass465.24939
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]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](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)/p-1/t12-,13+,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKeyVFUIRAVTUVCQTF-GYFJWSTRSA-M
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human blood serum metabolite (CHEBI:85234)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human urinary metabolite (CHEBI:84087)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role human xenobiotic metabolite (CHEBI:76967)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) has role marine xenobiotic metabolite (CHEBI:83399)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is a carbohydrate acid derivative anion (CHEBI:63551)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is a monocarboxylic acid anion (CHEBI:35757)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is conjugate base of etiocholanolone 3-glucuronide (CHEBI:133504)
Incoming Relation(s)
etiocholanolone 3-glucuronide (CHEBI:133504) is conjugate acid of etiocholanolone 3-glucuronide(1−) (CHEBI:133505)
IUPAC Name 
17-oxo-5β-androstan-3β-yl β-D-glucopyranosiduronate
Synonyms  Source
(3β,5β)-17-oxoandrostan-3-yl β-D-glucopyranosiduronateIUPAC
etiocholanolone 3-O-β-D-glucuronide(1−)ChEBI
etiocholanolone 3-glucosiduronateChEBI
etiocholanolone 3-β-glucuronide(1−)ChEBI
etiocholanolone 3-β-D-glucuronide(1−)ChEBI
etiocholanolone glucosiduronateChEBI