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CHEBI:229691 - (9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside

ChEBI IDCHEBI:229691
ChEBI Name(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside
Stars
ASCII Name(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside
DefinitionA sophoroside resulting from the formal condensation of the alcoholic hydroxy group of 18-hydroxyoleic acid with β-sophorose.
Last Modified28 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC30H54O13
Net Charge0
Average Mass622.749
Monoisotopic Mass622.35644
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCCO[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/c31-18-20-23(35)25(37)27(39)29(41-20)43-28-26(38)24(36)21(19-32)42-30(28)40-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(33)34/h1-2,20-21,23-32,35-39H,3-19H2,(H,33,34)/b2-1-/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1
InChIKeySDMYLWZFOYLRNG-UTRUZEGLSA-N
ChEBI Ontology
Outgoing Relation(s)
(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside (CHEBI:229691) has functional parent 18-hydroxyoleic acid (CHEBI:79312)
(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside (CHEBI:229691) is a sophorolipid (CHEBI:51075)
(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside (CHEBI:229691) is a sophoroside (CHEBI:145470)
(9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside (CHEBI:229691) is conjugate acid of (9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside (CHEBI:144077)
Incoming Relation(s)
(9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside (CHEBI:144077) is conjugate base of (9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside (CHEBI:229691)
IUPAC Name 
(9Z)-18-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octadec-9-enoic acid
Synonym  Source
18-hydroxyoleic acid 18-O-sophorosideChEBI