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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:
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.
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