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CHEBI:168889 - 28:3(5Z,9Z,21Z)

ChEBI IDCHEBI:168889
ChEBI Name28:3(5Z,9Z,21Z)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50O2
Net Charge0
Average Mass418.706
Monoisotopic Mass418.38108
SMILESCCCCCC/C=C\CCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C28H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h7-8,19-20,23-24H,2-6,9-18,21-22,25-27H2,1H3,(H,29,30)/b8-7-,20-19-,24-23-
InChIKeyRDFXKQGVRMEZRJ-QVLUYBMUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
28:3(5Z,9Z,21Z) (CHEBI:168889) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5Z,9Z,21Z)-octacosa-5,9,21-trienoic acid
Manual XrefsDatabases
LMFA01030878LIPID MAPS