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13-(beta-D-glucosyloxy)docosanoic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_36486

A beta-D-glucoside consisting of docosanoic (behenic) acid having a beta-D-glucosyloxy group at position 13.

Term info

Label

13-(beta-D-glucosyloxy)docosanoic acid

Synonyms
  • 13-(beta-D-glucopyranosyloxy)docosanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
13-(beta-D-glucopyranosyloxy)docosanoic acid [ IUPAC ]

charge

0

formula

C28H54O8

has alternative id

CHEBI:17887, CHEBI:752

has obo namespace

chebi_ontology

id

CHEBI:36486

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)/t22?,23-,25-,26+,27-,28-/m1/s1

inchikey

MVSYTBQOJXSHFZ-SFOFOFCKSA-N

mass

518.72356

monoisotopicmass

518.38187

smiles

CCCCCCCCCC(CCCCCCCCCCCC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O