4,5-ditridecyl-octanedioic acid (CHEBI:226244)

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CHEBI:226244 - 4,5-ditridecyl-octanedioic acid

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ChEBI ID	CHEBI:226244
ChEBI Name	4,5-ditridecyl-octanedioic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H66O4
Net Charge	0
Average Mass	538.898
Monoisotopic Mass	538.49611
SMILES	CCCCCCCCCCCCCC(CCC(=O)O)C(CCCCCCCCCCCCC)CCC(=O)O
InChI	InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-31(27-29-33(35)36)32(28-30-34(37)38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3,(H,35,36)(H,37,38)
InChIKey	FCQPOZCWFUWFDD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Myrotheciumspecies Z16 (ncbitaxon:259894)	-	PubMed (16405700)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4,5-ditridecyl-octanedioic acid (CHEBI:226244) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
4,5-di(tridecyl)octanedioic acid

Manual Xrefs	Databases
10481109	ChemSpider