2-dhahpa [dmed-fahfa] (CHEBI:190988)

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CHEBI:190988 - 2-dhahpa [dmed-fahfa]

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ChEBI ID	CHEBI:190988
ChEBI Name	2-dhahpa [dmed-fahfa]
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H62O4
Net Charge	0
Average Mass	582.910
Monoisotopic Mass	582.46481
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CCCCCCCCCCCCCC)C(=O)O
InChI	InChI=1S/C38H62O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37(39)42-36(38(40)41)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,36H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-35H2,1-2H3,(H,40,41)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-
InChIKey	BHZRRHAUVNKVMQ-JTURFRPLSA-N

Species of Metabolite	Component	Source	Comments
Rattus norvegicus (ncbitaxon:10116)	INS-1 cell (BTO:0002135)	MetaboLights (MTBLS3963)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	2-dhahpa [dmed-fahfa] (CHEBI:190988) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxyhexadecanoic acid