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CHEBI:169304 - 2-methyl-hexadecanedioic acid

ChEBI IDCHEBI:169304
ChEBI Name2-methyl-hexadecanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H32O4
Net Charge0
Average Mass300.439
Monoisotopic Mass300.23006
SMILESCC(CCCCCCCCCCCCCC(=O)O)C(=O)O
InChIInChI=1S/C17H32O4/c1-15(17(20)21)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyLCEXLICTPWSGLL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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-methyl-hexadecanedioic acid (CHEBI:169304) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
2-methylhexadecanedioic acid
Manual XrefsDatabases
7822613ChemSpider
LMFA01170023LIPID MAPS