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CHEBI:169274 - Nebraskanic acid

ChEBI IDCHEBI:169274
ChEBI NameNebraskanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H46O4
Net Charge0
Average Mass398.628
Monoisotopic Mass398.33961
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCC[C@@H](O)CCCCCC(=O)O
InChIInChI=1S/C24H46O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h9,13,22-23,25-26H,2-8,10-12,14-21H2,1H3,(H,27,28)/b13-9-/t22-,23-/m1/s1
InChIKeyXTSZRMFZUAMBRN-FIIQTUGESA-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)
Nebraskanic acid (CHEBI:169274) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(Z,7R,18R)-7,18-dihydroxytetracos-15-enoic acid
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