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CHEBI:144062 - 16-(β-D-glucopyranosyloxy)hexadecanoate

ChEBI IDCHEBI:144062
ChEBI Name16-(β-D-glucopyranosyloxy)hexadecanoate
Stars
ASCII Name16-(beta-D-glucopyranosyloxy)hexadecanoate
DefinitionA long-chain fatty acid anion resulting from the deprotonation of the carboxy group of 16-(β-D-glucopyranosyloxy)hexadecanoic acid. The major species at pH 7.3.
Last Modified24 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H41O8
Net Charge-1
Average Mass433.562
Monoisotopic Mass433.28069
SMILESO=C([O-])CCCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C22H42O8/c23-16-17-19(26)20(27)21(28)22(30-17)29-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(24)25/h17,19-23,26-28H,1-16H2,(H,24,25)/p-1/t17-,19-,20+,21-,22-/m1/s1
InChIKeyCCOVIBBFZQXNLF-MIUGBVLSSA-M
ChEBI Ontology
Outgoing Relation(s)
16-(β-D-glucopyranosyloxy)hexadecanoate (CHEBI:144062) is a long-chain fatty acid anion (CHEBI:57560)
16-(β-D-glucopyranosyloxy)hexadecanoate (CHEBI:144062) is conjugate base of 16-(β-D-glucopyranosyloxy)hexadecanoic acid (CHEBI:144935)
Incoming Relation(s)
16-(β-D-glucopyranosyloxy)hexadecanoic acid (CHEBI:144935) is conjugate acid of 16-(β-D-glucopyranosyloxy)hexadecanoate (CHEBI:144062)
IUPAC Name 
16-(β-D-glucopyranosyloxy)hexadecanoate
Synonym  Source
16-hydroxyhexadecanoate 16-O-β-D-glucosideChEBI
UniProt Name  Source
16-hydroxyhexadecanoate 16-O-β-D-glucosideUniProt
Citations