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CHEBI:133504 - etiocholanolone 3-glucuronide

Default Structure
ChEBI IDCHEBI:133504
ChEBI Nameetiocholanolone 3-glucuronide
Stars
DefinitionA steroid glucosiduronic acid having etiocholanolone as the steroid component.
Last Modified29 September 2016
SubmitterSteve
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]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)/t12-,13+,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1
InChIKeyVFUIRAVTUVCQTF-GYFJWSTRSA-N
Species of MetaboliteComponentSourceComments
Clarias gariepinus (ncbitaxon:13013) - PubMed (2937683)
Homo sapiens (ncbitaxon:9606) - PubMed (10759475)
Roles Classification
Biological Roles:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
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 xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
etiocholanolone 3-glucuronide (CHEBI:133504) has role human blood serum metabolite (CHEBI:85234)
etiocholanolone 3-glucuronide (CHEBI:133504) has role human urinary metabolite (CHEBI:84087)
etiocholanolone 3-glucuronide (CHEBI:133504) has role human xenobiotic metabolite (CHEBI:76967)
etiocholanolone 3-glucuronide (CHEBI:133504) has role marine xenobiotic metabolite (CHEBI:83399)
etiocholanolone 3-glucuronide (CHEBI:133504) is a 17-oxo steroid (CHEBI:19168)
etiocholanolone 3-glucuronide (CHEBI:133504) is a steroid glucosiduronic acid (CHEBI:26763)
etiocholanolone 3-glucuronide (CHEBI:133504) is conjugate acid of etiocholanolone 3-glucuronide(1−) (CHEBI:133505)
Incoming Relation(s)
etiocholanolone 3-glucuronide(1−) (CHEBI:133505) is conjugate base of etiocholanolone 3-glucuronide (CHEBI:133504)
IUPAC Name 
17-oxo-5β-androstan-3β-yl β-D-glucopyranosiduronic acid
Synonyms  Source
(3β,5β)-17-oxoandrostan-3-yl β-D-glucopyranosiduronic acidIUPAC
etiocholanolone 3-O-β-D-glucuronideChEBI
etiocholanolone 3-β-glucuronideChEBI
etiocholanolone 3-β-D-glucuronideChEBI
etiocholanolone glucuronideChEBI
Manual XrefsDatabases
HMDB0004484HMDB
Citations