Turpetholic acid A (CHEBI:168912)

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CHEBI:168912 - Turpetholic acid A

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ChEBI ID	CHEBI:168912
ChEBI Name	Turpetholic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H30O4
Net Charge	0
Average Mass	274.401
Monoisotopic Mass	274.21441
SMILES	CCCC(O)CCCCCCCCC(O)CC(=O)O
InChI	InChI=1S/C15H30O4/c1-2-9-13(16)10-7-5-3-4-6-8-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
InChIKey	FSZLBXAVPUVPDY-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Turpetholic acid A (CHEBI:168912) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
3,12-dihydroxypentadecanoic acid

Manual Xrefs	Databases
4472181	ChemSpider
LMFA01050184	LIPID MAPS