8(S),15(S)-DiHPETE (CHEBI:136400)

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CHEBI:136400 - 8(S),15(S)-DiHPETE

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ChEBI ID	CHEBI:136400
ChEBI Name	8(S),15(S)-DiHPETE
Stars
ASCII Name	8(S),15(S)-DiHPETE
Definition	An icosanoid that is (5Z,9E,11Z,13E)-icosatetraenoic acid carrying two hydroperoxy substituents at positions 8 and 15 (the 8S,15S-stereoisomer).
Last Modified	23 August 2017
Submitter	Steve
Downloads	Molfile

Formula	C20H32O6
Net Charge	0
Average Mass	368.470
Monoisotopic Mass	368.21989
SMILES	CCCCC[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)OO)OO
InChI	InChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-20(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChIKey	CXDIKCDVBUPCCG-HCCKYKKOSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (16112079)
Homo Sapiens (ncbitaxon:9606)	-	PubMed (8334154)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology

Outgoing Relation(s)
	8(S),15(S)-DiHPETE (CHEBI:136400) has functional parent arachidonic acid (CHEBI:15843)
	8(S),15(S)-DiHPETE (CHEBI:136400) has role human xenobiotic metabolite (CHEBI:76967)
	8(S),15(S)-DiHPETE (CHEBI:136400) has role mouse metabolite (CHEBI:75771)
	8(S),15(S)-DiHPETE (CHEBI:136400) is a bis(hydroperoxy)icosatetraenoic acid (CHEBI:138293)
	8(S),15(S)-DiHPETE (CHEBI:136400) is conjugate acid of 8(S),15(S)-DiHPETE(1−) (CHEBI:133899)
Incoming Relation(s)
Incoming Relation(s)	8(S),15(S)-DiHPETE(1−) (CHEBI:133899) is conjugate base of 8(S),15(S)-DiHPETE (CHEBI:136400)

IUPAC Name
(5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)icosa-5,9,11,13-tetraenoic acid

Synonyms	Source
(8S,15S)-dihydroperoxy-(5Z,9E,11Z,13E)-icosatetraenoic acid	ChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)icosatetraenoic acid	ChEBI
(5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)eicosatetraenoic acid	ChEBI
(8S,15S)-dihydroperoxy-(5Z,9E,11Z,13E)-eicosatetraenoic acid	ChEBI
(8S,15S)-DiHPETE	ChEBI
8S,15S-dihydroperoxy-5Z,9E,11Z,13E-eicosatetraenoic acid	LIPID MAPS

Manual Xrefs	Databases
LMFA03060098	LIPID MAPS

Citations