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CHEBI:225822 - Pantheric acid A

ChEBI IDCHEBI:225822
ChEBI NamePantheric acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O3
Net Charge0
Average Mass352.559
Monoisotopic Mass352.29775
SMILESCCCCCCCCCCCCCCCC[C@H](O)/C=C\C=C\C(=O)O
InChIInChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h16-17,19-21,23H,2-15,18H2,1H3,(H,24,25)/b19-16-,20-17+/t21-/m0/s1
InChIKeyKKPWDPXWIUPCGB-XUQULAACSA-N
Species of MetaboliteComponentSourceComments
Amanita pantherina (ncbitaxon:67721) - PubMed (31724396)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pantheric acid A (CHEBI:225822) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2E,4Z,6S)-6-hydroxydocosa-2,4-dienoic acid
Manual XrefsDatabases
113369103ChemSpider