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CHEBI:176959 - Octadec-9-ene-1,18-dioic-acid

Default Structure
ChEBI IDCHEBI:176959
ChEBI NameOctadec-9-ene-1,18-dioic-acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)/b2-1-
InChIKeySBLKVIQSIHEQOF-UPHRSURJSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Octadec-9-ene-1,18-dioic-acid (CHEBI:176959) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(Z)-octadec-9-enedioic acid
Manual XrefsDatabases
7822624ChemSpider
C19618KEGG COMPOUND
LMFA01170055LIPID MAPS
Registry NumbersSources
CAS:20701-68-2ChemIDplus