Turpetholic acid A (CHEBI:168912)

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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	Turpetholic acid A

ChEBI ID	CHEBI:168912

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H30O4

Net Charge

Average Mass

274.401

Monoisotopic Mass

274.21441

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

SMILES

OC(CCCCCCCCC(O)CC(O)=O)CCC

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

IUPAC Name

3,12-dihydroxypentadecanoic acid