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CHEBI:51077 - methyl 13-sophorosyloxydocosanoate

ChEBI IDCHEBI:51077
ChEBI Namemethyl 13-sophorosyloxydocosanoate
Stars
Last Modified22 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC35H66O13
Net Charge0
Average Mass694.900
Monoisotopic Mass694.45034
SMILESCCCCCCCCCC(CCCCCCCCCCCC(=O)OC)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/C35H66O13/c1-3-4-5-6-10-13-16-19-24(20-17-14-11-8-7-9-12-15-18-21-27(38)44-2)45-35-33(31(42)29(40)26(23-37)47-35)48-34-32(43)30(41)28(39)25(22-36)46-34/h24-26,28-37,39-43H,3-23H2,1-2H3/t24?,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-/m1/s1
InChIKeyNKQRPULMZRZDJA-IPORWCFUSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 13-sophorosyloxydocosanoate (CHEBI:51077) is a methyl ester (CHEBI:25248)
methyl 13-sophorosyloxydocosanoate (CHEBI:51077) is a sophorolipid (CHEBI:51075)
methyl 13-sophorosyloxydocosanoate (CHEBI:51077) is a sophoroside (CHEBI:145470)
IUPAC Name 
methyl 13-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]docosanoate
Registry NumbersSources
Beilstein:1278128Beilstein