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CHEBI:144058 - (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside

ChEBI IDCHEBI:144058
ChEBI Name(9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside
Stars
ASCII Name(9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside
DefinitionA monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside. The major species at pH 7.3
Last Modified22 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H53O13
Net Charge-1
Average Mass621.741
Monoisotopic Mass621.34917
SMILESCC(CCCCCC/C=C\CCCCCCCC(=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/C30H54O13/c1-19(15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(33)34)40-30-28(26(38)24(36)21(18-32)42-30)43-29-27(39)25(37)23(35)20(17-31)41-29/h2-3,19-21,23-32,35-39H,4-18H2,1H3,(H,33,34)/p-1/b3-2-/t19?,20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1
InChIKeyMRMIIYJPIRIFCV-QNFSESTQSA-M
ChEBI Ontology
Outgoing Relation(s)
(9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058) is a monounsaturated fatty acid anion (CHEBI:82680)
(9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058) is conjugate base of (9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside (CHEBI:145469)
Incoming 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-[(O-beta-D-glucosyl-(1->2)-beta-D-glucosyl)oxy]-oleate-beta-D-glucoside (CHEBI:747007) has functional parent (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058)
(9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside (CHEBI:145469) is conjugate acid of (9Z)-17-hydroxyoctadec-9-enoate 17-O-sophoroside (CHEBI:144058)
IUPAC Name 
17-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octadec-9-enoate
Synonyms  Source
(9Z)-17-hydroxyoctadec-9-enoate 17-O-β-D-glucosyl-(1→2)-β-D-glucosideSUBMITTER
17-hydroxyoleate 17-O-sophorosideChEBI
17-hydroxyoleate 17-O-β-D-glucosyl-(1→2)-β-D-glucosideChEBI
UniProt Name  Source
(9Z)-17-hydroxyoctadec-9-enoate 17-O-sophorosideUniProt
Citations