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CHEBI:226962 - Gallicynoic acid D

ChEBI IDCHEBI:226962
ChEBI NameGallicynoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCCCC[C@@H](O)C#C[C@@H](O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O4/c1-2-3-11-16(19)14-15-17(20)12-9-7-5-4-6-8-10-13-18(21)22/h9,12,16-17,19-20H,2-8,10-11,13H2,1H3,(H,21,22)/b12-9-/t16-,17+/m1/s1
InChIKeyABCUJZSRBYAWAE-CDLZWKSISA-N
Species of MetaboliteComponentSourceComments
Coriolopsis gallica (ncbitaxon:76126) - PubMed (18247526)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gallicynoic acid D (CHEBI:226962) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z,11S,14R)-11,14-dihydroxyoctadec-9-en-12-ynoic acid
Manual XrefsDatabases
78441245ChemSpider