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CHEBI:235442 - 17-[(6-O-acetyl-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-oleate

Default Structure
ChEBI IDCHEBI:235442
ChEBI Name17-[(6-O-acetyl-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-oleate
Stars
ASCII Name17-[(6-O-acetyl-beta-D-glucosyl-(1->2)-beta-D-glucosyl)oxy]-oleate
Submitterlaimo
DownloadsMolfile
FormulaC32H55O14
Net Charge-1
Average Mass663.778
Monoisotopic Mass663.35973
SMILESCC(=O)OC[C@H]1O[C@@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)[O-])[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C32H56O14/c1-20(16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-24(35)36)43-32-30(28(40)26(38)23(45-32)19-42-21(2)34)46-31-29(41)27(39)25(37)22(18-33)44-31/h3-4,20,22-23,25-33,37-41H,5-19H2,1-2H3,(H,35,36)/p-1/b4-3-/t20?,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-/m1/s1
InChIKeyMFYITBJVALAVJO-YBPIXSNOSA-M
ChEBI Ontology
Outgoing Relation(s)
17-[(6-O-acetyl-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-oleate (CHEBI:235442) has functional parent (9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside (CHEBI:145469)
17-[(6-O-acetyl-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-oleate (CHEBI:235442) is a sophorolipid (CHEBI:51075)
Synonym  Source
FA18:1(17-OH,9Z) acidic sophoroside anionSUBMITTER
UniProt Name  Source
(9Z)-17-[(6-O-acetyl-β-D-glucosyl-(1→2)-β-D-glucosyl)oxy]-octadecenoateUniProt
Citations