10-F2-dihomo-IsoP (CHEBI:168118)

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CHEBI:168118 - 10-F2-dihomo-IsoP

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ChEBI ID	CHEBI:168118
ChEBI Name	10-F2-dihomo-IsoP
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H40O5
Net Charge	0
Average Mass	396.568
Monoisotopic Mass	396.28757
SMILES	CCCCCC1C(O)CC(O)C1/C=C/C(O)C/C=C\CCCCCCC(=O)O
InChI	InChI=1S/C23H40O5/c1-2-3-9-13-19-20(22(26)17-21(19)25)16-15-18(24)12-10-7-5-4-6-8-11-14-23(27)28/h7,10,15-16,18-22,24-26H,2-6,8-9,11-14,17H2,1H3,(H,27,28)/b10-7-,16-15+
InChIKey	DTTMKDYOUCSFNN-NTZQAAQGSA-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)
	10-F2-dihomo-IsoP (CHEBI:168118) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(8Z,12E)-13-(3,5-dihydroxy-2-pentylcyclopentyl)-11-hydroxytrideca-8,12-dienoic acid

Manual Xrefs	Databases
LMFA03110168	LIPID MAPS