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CHEBI:174651 - Isovalerylglucuronide

ChEBI IDCHEBI:174651
ChEBI NameIsovalerylglucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O8
Net Charge0
Average Mass278.257
Monoisotopic Mass278.10017
SMILESCC(C)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H18O8/c1-4(2)3-5(12)18-11-8(15)6(13)7(14)9(19-11)10(16)17/h4,6-9,11,13-15H,3H2,1-2H3,(H,16,17)/t6-,7-,8+,9-,11+/m0/s1
InChIKeyVOJAALAAOYUSCT-ZCLKDUABSA-N
ChEBI Ontology
Outgoing Relation(s)
Isovalerylglucuronide (CHEBI:174651) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-methylbutanoyloxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0002091HMDB
121058ChemSpider
Registry NumbersSources
CAS:88070-93-3ChemIDplus