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CHEBI:188754 - 2-Hexyl-3-methylenesuccinic acid

ChEBI IDCHEBI:188754
ChEBI Name2-Hexyl-3-methylenesuccinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESC=C(C(=O)O)C(CCCCCC)C(=O)O
InChIInChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyHKMDCNSGDQBQLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-Hexyl-3-methylenesuccinic acid (CHEBI:188754) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-hexyl-3-methylidenebutanedioic acid
Manual XrefsDatabases
9622067ChemSpider