CHEBI:70322 - Operculinic acid C

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ChEBI Name Operculinic acid C
ChEBI ID CHEBI:70322
Definition A natural product found in Ipomoea operculata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H72O19
Net Charge 0
Average Mass 856.98830
Monoisotopic Mass 856.46678
InChI InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-40-36(28(46)26(44)20(3)53-40)59-39-33(51)30(48)35(22(5)55-39)58-38-32(50)29(47)34(21(4)54-38)57-37-31(49)27(45)25(43)19(2)52-37/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20+,21-,22-,23-,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40-/m0/s1
InChIKey YWGSNDLKHDCUPK-CHPIRXAKSA-N
SMILES [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]([H])(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3O[C@@H](CCCCC)CCCCCCCCCC(O)=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
Metabolite of Species Details
Ipomoea operculata (IPNI:269428-1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Operculinic acid C (CHEBI:70322) has role metabolite (CHEBI:25212)
Operculinic acid C (CHEBI:70322) is a oligosaccharide (CHEBI:50699)
Synonym Source
(11S)-11-{[6-Deoxy-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl]oxy}hexadecanoic acid ChEBI
Citation Waiting for Citations Type Source
20961090 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:long-chain fatty acid(CHEBI:15904); ISA:glycoside(CHEBI:24400); ISA:L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo(CHEBI:78618); ISA:heterocyclic fatty acid(CHEBI:48847); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);