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CHEBI:172662 - Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate

Default Structure
ChEBI IDCHEBI:172662
ChEBI NameDimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O6
Net Charge0
Average Mass420.546
Monoisotopic Mass420.25119
SMILESC=CC/C=C/C/C=C/CCCCCCCC(C(=O)OC)C(=O)/C(=C\C(=O)OC)OC
InChIInChI=1S/C24H36O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24(27)30-4)23(26)21(28-2)19-22(25)29-3/h5,7-8,10-11,19-20H,1,6,9,12-18H2,2-4H3/b8-7+,11-10+,21-19+
InChIKeyDSALQCDYXNDYHC-ZMEURTSISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate (CHEBI:172662) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
dimethyl (E)-3-methoxy-4-oxo-5-[(8E,11E)-pentadeca-8,11,14-trienyl]hex-2-enedioate
Manual XrefsDatabases
35013443ChemSpider
HMDB0032099HMDB