EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132074 - N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate

ChEBI IDCHEBI:132074
ChEBI NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate
Stars
ASCII NameN-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate
DefinitionAn N-acyl-L-α-amino acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-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=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)/p-1/b10-8-,12-9-,14-11-,18-15+/t20-,21-/m0/s1
InChIKeyHEDNIHSKHKFUON-RTYQQCFVSA-M
ChEBI Ontology
Outgoing Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate (CHEBI:132074) is a N-acyl-L-α-amino acid anion (CHEBI:59874)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alaninate (CHEBI:132074) is a oxidized N-(fatty acyl)-L-alaninate(1−) (CHEBI:176557)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2S)-2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}propanoate
Synonyms  Source
N-[12-(S)-HPETE]-Ala(1−)SUBMITTER
N-[12-(S)-HPETE]-alaninateChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-L-alaninateChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]alaninateChEBI
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-L-alaninateChEBI
UniProt Name  Source
N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-alanineUniProt
Citations