5S-HpEPE (CHEBI:165271)

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CHEBI:165271 - 5S-HpEPE

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ChEBI ID	CHEBI:165271
ChEBI Name	5S-HpEPE
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H30O4
Net Charge	0
Average Mass	334.456
Monoisotopic Mass	334.21441
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
InChI	InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey	NKXYOIJDQPQELO-GHWNLOBHSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	5S-HpEPE (CHEBI:165271) is a HPETE (CHEBI:24644)
	5S-HpEPE (CHEBI:165271) is conjugate acid of 5(S)-HpEPE(1−) (CHEBI:195399)
Incoming Relation(s)
	5(S)-HpEPE(1−) (CHEBI:195399) is conjugate base of 5S-HpEPE (CHEBI:165271)

IUPAC Name
(5S,6E,8Z,11Z,14Z,17Z)-5-hydroperoxyicosa-6,8,11,14,17-pentaenoic acid

Manual Xrefs	Databases
4446306	ChemSpider
LMFA03070001	LIPID MAPS