CHEBI:186685 - 27:2(5Z,9Z)

ChEBI IDCHEBI:186685
ChEBI Name27:2(5Z,9Z)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H50O2
Net Charge0
Average Mass406.695
Monoisotopic Mass406.38108
SMILESCCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChIInChI=1S/C27H50O2/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/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
InChIKeyQHCUSXRHMXVISV-ZCIBKELESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
27:2(5Z,9Z) (CHEBI:186685) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5Z,9Z)-heptacosa-5,9-dienoic acid
Manual XrefsDatabases
23340061ChemSpider
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