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CHEBI:166509 - Palmitoyl glucuronide

ChEBI IDCHEBI:166509
ChEBI NamePalmitoyl glucuronide
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SubmitterMetaboLights
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FormulaC22H40O8
Net Charge0
Average Mass432.554
Monoisotopic Mass432.27232
SMILESCCCCCCCCCCCCCCCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H40O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(23)29-22-19(26)17(24)18(25)20(30-22)21(27)28/h17-20,22,24-26H,2-15H2,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
InChIKeyVQJIPERBRVAXHC-SXFAUFNYSA-N
ChEBI Ontology
Outgoing Relation(s)
Palmitoyl glucuronide (CHEBI:166509) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-hexadecanoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
141627ChemSpider