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

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ChEBI Name 13-(β-D-glucosyloxy)docosanoate
ChEBI ID CHEBI:36487
ChEBI ASCII Name 13-(beta-D-glucosyloxy)docosanoate
Definition A monocarboxylic acid anion that is the conjugate base of 13-(β-D-glucosyloxy)docosanoic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19149, CHEBI:11319
Supplier Information
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Formula C28H53O8
Net Charge -1
Average Mass 517.71562
Monoisotopic Mass 517.37459
InChI InChI=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
InChIKey MVSYTBQOJXSHFZ-SFOFOFCKSA-M
SMILES CCCCCCCCCC(CCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
13-(β-D-glucosyloxy)docosanoate UniProt
13-beta-D-Glucosyloxydocosanoate KEGG COMPOUND
Manual Xrefs Databases
C04103 KEGG COMPOUND
CPD-803 MetaCyc
View more database links
Last Modified
13 November 2017