CHEBI:186716 - 15-HETE-Ala

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 15-HETE-Ala
ChEBI ID CHEBI:186716
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H37NO4
Net Charge 0
Average Mass 391.552
Monoisotopic Mass 391.27226
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
SMILES O[C@@H](CCCCC)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
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