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CHEBI:132077 - N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate

ChEBI IDCHEBI:132077
ChEBI NameN-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate
Stars
ASCII NameN-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate
DefinitionAn N-acyl-L-α-amino acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified19 July 2016
Submitterlaimo
DownloadsMolfile
FormulaC23H36NO5
Net Charge-1
Average Mass406.543
Monoisotopic Mass406.25990
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)[O-])OO
InChIInChI=1S/C23H37NO5/c1-3-4-14-17-21(29-28)18-15-12-10-8-6-5-7-9-11-13-16-19-22(25)24-20(2)23(26)27/h5-6,9-12,15,18,20-21,28H,3-4,7-8,13-14,16-17,19H2,1-2H3,(H,24,25)(H,26,27)/p-1/b6-5-,11-9-,12-10-,18-15+/t20-,21-/m0/s1
InChIKeyPYTWJSOUEZSBDS-KWECEVBASA-M
ChEBI Ontology
Outgoing Relation(s)
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate (CHEBI:132077) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate (CHEBI:132077) is a oxidized N-(fatty acyl)-L-alaninate(1−) (CHEBI:176557)
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate (CHEBI:132077) is conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine (CHEBI:132746)
Incoming Relation(s)
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine (CHEBI:132746) is conjugate acid of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alaninate (CHEBI:132077)
IUPAC Name 
(2S)-2-{[(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoyl]amino}propanoate
Synonyms  Source
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-L-alaninateChEBI
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]alaninateChEBI
N-[15(S)-HPETE]-alaninateChEBI
N-[15(S)-HPETE]-Ala(1−)ChEBI
N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-L-alaninateChEBI
UniProt Name  Source
N-(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl-alanineUniProt
Citations