15-HETE-Ala (CHEBI:186716)

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CHEBI:186716 - 15-HETE-Ala

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ChEBI ID	CHEBI:186716
ChEBI Name	15-HETE-Ala
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H37NO4
Net Charge	0
Average Mass	391.552
Monoisotopic Mass	391.27226
SMILES	CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O
InChI	InChI=1S/C23H37NO4/c1-3-4-14-17-21(25)18-15-12-10-8-6-5-7-9-11-13-16-19-22(26)24-20(2)23(27)28/h5-6,9-12,15,18,20-21,25H,3-4,7-8,13-14,16-17,19H2,1-2H3,(H,24,26)(H,27,28)/b6-5-,11-9-,12-10-,18-15+/t20-,21-/m0/s1
InChIKey	BSSPZJCPGUJIQC-KWECEVBASA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	15-HETE-Ala (CHEBI:186716) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2S)-2-[[(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]amino]propanoic acid

Manual Xrefs	Databases
113371125	ChemSpider
LMFA08020145	LIPID MAPS