13-epi-13-A4-NeuroP (CHEBI:196992)

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CHEBI:196992 - 13-epi-13-A4-NeuroP

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ChEBI ID	CHEBI:196992
ChEBI Name	13-epi-13-A4-NeuroP
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H30O4
Net Charge	0
Average Mass	358.478
Monoisotopic Mass	358.21441
SMILES	CC[C@@H]1C=CC(=O)[C@@H]1/C=C/[C@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI	InChI=1S/C22H30O4/c1-2-18-14-17-21(24)20(18)16-15-19(23)12-10-8-6-4-3-5-7-9-11-13-22(25)26/h3-4,7-10,14-20,23H,2,5-6,11-13H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,16-15+/t18-,19-,20-/m1/s1
InChIKey	UVLNGPRKWCOOFQ-JYJSRBJYSA-N

Species of Metabolite	Component	Source	Comments
Cannabis sativa (ncbitaxon:3483)	inflorescence (BTO:0000628)	MetaboLights (MTBLS6032)	Strain: Cannabis sativa var. DMG265

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	13-epi-13-A4-NeuroP (CHEBI:196992) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(4Z,7Z,10Z,13R,14E)-15-[(1R,2R)-2-ethyl-5-oxocyclopent-3-en-1-yl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid

Manual Xrefs	Databases
113370442	ChemSpider
LMFA04010427	LIPID MAPS