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CHEBI:6673 - malvalic acid

ChEBI IDCHEBI:6673
ChEBI Namemalvalic acid
Stars
DefinitionA long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent.
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCCCCCC1=C(CCCCCCC(=O)O)C1
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
InChIKeyHPSSZFFAYWBIPY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
malvalic acid (CHEBI:6673) is a cyclopropenyl fatty acid (CHEBI:23501)
malvalic acid (CHEBI:6673) is a long-chain fatty acid (CHEBI:15904)
malvalic acid (CHEBI:6673) is a monounsaturated fatty acid (CHEBI:25413)
IUPAC Name 
7-(2-octylcycloprop-1-en-1-yl)heptanoic acid
Synonyms  Source
Malvalic acidKEGG COMPOUND
2-octyl-1-cyclopropene-1-heptanoic acidChemIDplus
8,9-methylene-8Z-heptadecenoic acidLIPID MAPS
8,9-Methylen-8-heptadecensäureChEBI
MalvalsäureChEBI
Manual XrefsDatabases
C08321KEGG COMPOUND
LMFA01140002LIPID MAPS
C00001227KNApSAcK
Registry NumbersSources
Reaxys:1970279Reaxys
CAS:503-05-9KEGG COMPOUND
CAS:503-05-9ChemIDplus
Citations