13,14-Dimethyloctacosanedioic acid (CHEBI:202564)

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CHEBI:202564 - 13,14-Dimethyloctacosanedioic acid

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ChEBI ID	CHEBI:202564
ChEBI Name	13,14-Dimethyloctacosanedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H58O4
Net Charge	0
Average Mass	482.790
Monoisotopic Mass	482.43351
SMILES	CC(CCCCCCCCCCCCCC(=O)O)C(C)CCCCCCCCCCCC(=O)O
InChI	InChI=1S/C30H58O4/c1-27(23-19-15-11-7-4-3-5-9-13-17-21-25-29(31)32)28(2)24-20-16-12-8-6-10-14-18-22-26-30(33)34/h27-28H,3-26H2,1-2H3,(H,31,32)(H,33,34)
InChIKey	BWSMSGXFEDFDNR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pyrococcus furiosus (ncbitaxon:2261)	-	PubMed (9098079)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	13,14-Dimethyloctacosanedioic acid (CHEBI:202564) is a very long-chain fatty acid (CHEBI:27283)

IUPAC Name
13,14-dimethyloctacosanedioic acid

Manual Xrefs	Databases
28573236	ChemSpider