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

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ChEBI Name etiocholanolone 3-glucuronide(1−)
ChEBI ID CHEBI:133505
ChEBI ASCII Name etiocholanolone 3-glucuronide(1-)
Definition A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of etiocholanolone 3-glucuronide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H37O8
Net Charge -1
Average Mass 465.557
Monoisotopic Mass 465.24939
InChI InChI=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
InChIKey VFUIRAVTUVCQTF-GYFJWSTRSA-M
SMILES C1[C@]2([C@]([C@]3([C@@](C(CC3)=O)(C1)C)[H])(CC[C@]4([C@@]2(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C([O-])=O)O)O)O)C)[H])[H])[H]
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
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.
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(3β,5β)-17-oxoandrostan-3-yl β-D-glucopyranosiduronate IUPAC
etiocholanolone 3-β-D-glucuronide(1−) ChEBI
etiocholanolone 3-β-glucuronide(1−) ChEBI
etiocholanolone 3-glucosiduronate ChEBI
etiocholanolone 3-O-β-D-glucuronide(1−) ChEBI
etiocholanolone glucosiduronate ChEBI
etiocholanolone glucuronide(1−) ChEBI
Last Modified
29 September 2016