2-methyl-hexadecanedioic acid (CHEBI:169304)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-methyl-hexadecanedioic acid

ChEBI ID	CHEBI:169304

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H32O4

Net Charge

Average Mass

300.439

Monoisotopic Mass

300.23006

InChI

InChI=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)

InChIKey

LCEXLICTPWSGLL-UHFFFAOYSA-N

SMILES

OC(=O)C(CCCCCCCCCCCCCC(O)=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-methyl-hexadecanedioic acid (CHEBI:169304) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

2-methylhexadecanedioic acid