CHEBI:144077 - (9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside

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ChEBI Name (9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside
ChEBI ID CHEBI:144077
ChEBI ASCII Name (9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside
Definition A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside. The major species at pH 7.3
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C30H53O13
Net Charge -1
Average Mass 621.742
Monoisotopic Mass 621.34917
InChI InChI=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)/p-1/b2-1-/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30-/m1/s1
InChIKey SDMYLWZFOYLRNG-UTRUZEGLSA-M
SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OCCCCCCCC\C=C/CCCCCCCC([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside (CHEBI:144077) has functional parent 18-hydroxyoleate (CHEBI:78424)
(9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside (CHEBI:144077) is a monounsaturated fatty acid (CHEBI:25413)
(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)
Incoming (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)
IUPAC Name
(9Z)-18-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octadec-9-enoate
Synonyms Sources
(9Z)-18-hydroxyoctadec-9-enoate 18-O-sophoroside UniProt
18-hydroxyoleate 18-O-sophoroside ChEBI
Last Modified
28 February 2024