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CHEBI:132736 - N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine

ChEBI IDCHEBI:132736
ChEBI NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine
Stars
ASCII NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine
DefinitionAn N-acyl-L-alanine resulting from the formal condensation of the amino group of L-alanine with the carboxy group of (12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid.
Last Modified25 August 2020
SubmitterSteve
DownloadsMolfile
FormulaC23H37NO5
Net Charge0
Average Mass407.551
Monoisotopic Mass407.26717
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O)OO
InChIInChI=1S/C23H37NO5/c1-3-4-5-6-11-14-17-21(29-28)18-15-12-9-7-8-10-13-16-19-22(25)24-20(2)23(26)27/h8-12,14-15,18,20-21,28H,3-7,13,16-17,19H2,1-2H3,(H,24,25)(H,26,27)/b10-8-,12-9-,14-11-,18-15+/t20-,21-/m0/s1
InChIKeyHEDNIHSKHKFUON-RTYQQCFVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) has functional parent 12(S)-HPETE (CHEBI:15626)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) has role mammalian metabolite (CHEBI:75768)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) is a N-(fatty acyl)-L-α-amino acid (CHEBI:137550)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) is a N-acyl-L-alanine (CHEBI:83946)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) is a hydroperoxy fatty amide (CHEBI:156403)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) is conjugate acid of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate (CHEBI:132074)
Incoming Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate (CHEBI:132074) is conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736)
IUPAC Name 
N-[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]-L-alanine
Synonyms  Source
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-L-alanineChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-L-alanineChEBI
N-[12-(S)-HPETE]-alanineChEBI
N-[12-(S)-HPETE]-AlaChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]alanineChEBI
Citations