12(S)-HETE (CHEBI:34146)

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CHEBI:34146 - 12(S)-HETE

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ChEBI ID	CHEBI:34146
ChEBI Name	12(S)-HETE
Stars
ASCII Name	12(S)-HETE
Definition	A HETE having a (12S)-hydroxy group and (5Z)-, (8Z)-, (10E)- and (14Z)-double bonds.
Last Modified	8 December 2022
Downloads	Molfile

Formula	C20H32O3
Net Charge	0
Average Mass	320.473
Monoisotopic Mass	320.23514
SMILES	CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)O
InChI	InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKey	ZNHVWPKMFKADKW-LQWMCKPYSA-N

Roles Classification

Chemical Roles:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:	pro-angiogenic agent Any compound that promotes the growth of new blood vessels from pre-existing vessels.

ChEBI Ontology

Outgoing Relation(s)
	12(S)-HETE (CHEBI:34146) has role human metabolite (CHEBI:77746)
	12(S)-HETE (CHEBI:34146) has role pro-angiogenic agent (CHEBI:72571)
	12(S)-HETE (CHEBI:34146) is a (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
	12(S)-HETE (CHEBI:34146) is a HETE (CHEBI:36275)
	12(S)-HETE (CHEBI:34146) is conjugate acid of 12(S)-HETE(1−) (CHEBI:90680)
	12(S)-HETE (CHEBI:34146) is enantiomer of 12(R)-HETE (CHEBI:34144)
Incoming Relation(s)
	12(S)-HETE(1−) (CHEBI:90680) is conjugate base of 12(S)-HETE (CHEBI:34146)
	12(R)-HETE (CHEBI:34144) is enantiomer of 12(S)-HETE (CHEBI:34146)

IUPAC Name
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid

Synonyms	Source
12(S)-HETE	KEGG COMPOUND
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid	KEGG COMPOUND
(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid	KEGG COMPOUND
12S-HETE	LIPID MAPS
(5Z,8Z,10E,12S,14Z)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid	ChEBI
12(S)-hydroxy-5(Z),8(Z),10(E),14(Z)-eicosatetraenoic acid	ChEBI

Manual Xrefs	Databases
C14777	KEGG COMPOUND
LMFA03060007	LIPID MAPS
C00000424	KNApSAcK

Registry Numbers	Sources
Reaxys:2656104	Reaxys
CAS:54397-83-0	KEGG COMPOUND

Citations