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CHEBI:235378 - 17-[(6-O-acetyl-β-D-glucosyl-(1→2)-6-O-acetyl-β-D-glucosyl)oxy]-oleate-β-D-glucosyl-(1→2)-β-D-glucoside

Default Structure
ChEBI IDCHEBI:235378
ChEBI Name17-[(6-O-acetyl-β-D-glucosyl-(1→2)-6-O-acetyl-β-D-glucosyl)oxy]-oleate-β-D-glucosyl-(1→2)-β-D-glucoside
Stars
ASCII Name17-[(6-O-acetyl-beta-D-glucosyl-(1->2)-6-O-acetyl-beta-D-glucosyl)oxy]-oleate-beta-D-glucosyl-(1->2)-beta-D-glucoside
Submitterlaimo
DownloadsMolfile
FormulaC46H78O25
Net Charge0
Average Mass1031.105
Monoisotopic Mass1030.48322
SMILESCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C46H78O25/c1-23(64-45-41(38(59)34(55)29(68-45)22-63-25(3)50)70-44-40(61)36(57)33(54)28(67-44)21-62-24(2)49)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-30(51)69-46-42(37(58)32(53)27(20-48)66-46)71-43-39(60)35(56)31(52)26(19-47)65-43/h4-5,23,26-29,31-48,52-61H,6-22H2,1-3H3/b5-4-/t23?,26-,27-,28-,29-,31-,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
InChIKeyJPKAHIBXBGARPX-XGWUMWECSA-N
Species of MetaboliteComponentSourceComments
Starmerella bombicola- PubMed (38937850)
ChEBI Ontology
Outgoing Relation(s)
17-[(6-O-acetyl-β-D-glucosyl-(1→2)-6-O-acetyl-β-D-glucosyl)oxy]-oleate-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:235378) has functional parent (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058)
17-[(6-O-acetyl-β-D-glucosyl-(1→2)-6-O-acetyl-β-D-glucosyl)oxy]-oleate-β-D-glucosyl-(1→2)-β-D-glucoside (CHEBI:235378) is a sophorolipid (CHEBI:51075)
Synonyms  Source
di-acetylated (9Z)-17-hydroxyoctadecenoyl-1,17-di-sophorosideSUBMITTER
di-acetylated bolaform sophorolipid 18:1(9Z,17-OH)SUBMITTER
UniProt Name  Source
(9Z)-17-[(6-O-acetyl-β-D-glucosyl-(1→2)-6-O-acetyl-β-D-glucosyl)oxy]-octadecenoate-β-D-glucosyl-(1→2)-β-D-glucosideUniProt
Citations