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CHEBI:36487 - 13-(β-D-glucosyloxy)docosanoate

ChEBI IDCHEBI:36487
ChEBI Name13-(β-D-glucosyloxy)docosanoate
Stars
ASCII Name13-(beta-D-glucosyloxy)docosanoate
DefinitionA monocarboxylic acid anion that is the conjugate base of 13-(β-D-glucosyloxy)docosanoic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:11319, CHEBI:19149
Last Modified13 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H53O8
Net Charge-1
Average Mass517.724
Monoisotopic Mass517.37459
SMILESCCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/p-1/t22?,23-,25-,26+,27-,28-/m1/s1
InChIKeyMVSYTBQOJXSHFZ-SFOFOFCKSA-M
ChEBI Ontology
Outgoing Relation(s)
13-(β-D-glucosyloxy)docosanoate (CHEBI:36487) has functional parent behenate (CHEBI:23858)
13-(β-D-glucosyloxy)docosanoate (CHEBI:36487) is a monocarboxylic acid anion (CHEBI:35757)
13-(β-D-glucosyloxy)docosanoate (CHEBI:36487) is conjugate base of 13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486)
Incoming Relation(s)
13-(β-D-glucosyloxy)docosanoic acid (CHEBI:36486) is conjugate acid of 13-(β-D-glucosyloxy)docosanoate (CHEBI:36487)
IUPAC Name 
13-(β-D-glucopyranosyloxy)docosanoate
Synonym  Source
13-beta-D-GlucosyloxydocosanoateKEGG COMPOUND
UniProt Name  Source
13-(β-D-glucosyloxy)docosanoateUniProt
Manual XrefsDatabases
C04103KEGG COMPOUND
CPD-803MetaCyc