EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:26723 - 13-sophorosyloxydocosanoic acid

Default Structure
ChEBI IDCHEBI:26723
ChEBI Name13-sophorosyloxydocosanoic acid
Stars
Last Modified22 November 2019
DownloadsMolfile
FormulaC34H64O13
Net Charge0
Average Mass680.873
Monoisotopic Mass680.43469
SMILESCCCCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1
InChIKeyOAKLJPBSRRDONB-FCILMWLFSA-N
ChEBI Ontology
Outgoing Relation(s)
13-sophorosyloxydocosanoic acid (CHEBI:26723) is a sophorolipid (CHEBI:51075)
13-sophorosyloxydocosanoic acid (CHEBI:26723) is a sophoroside (CHEBI:145470)
IUPAC Name 
13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoic acid
Manual XrefsDatabases
C18191KEGG COMPOUND