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

Go to external page http://purl.obolibrary.org/obo/CHEBI_132074

An N-acyl-L-alpha-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.

Term info

Label

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

Synonyms
  • (2S)-2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}propanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S)-2-{[(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoyl]amino}propanoate [ IUPAC ]

charge

-1

formula

C23H36NO5

has obo namespace

chebi_ontology

has related synonym

N-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl-alanine, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]-L-alaninate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoyl]alaninate, N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-L-alaninate, N-[12-(S)-HPETE]-alaninate, N-[12-(S)-HPETE]-Ala(1-)

id

CHEBI:132074

inchi

InChI=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

inchikey

HEDNIHSKHKFUON-RTYQQCFVSA-M

mass

406.537

monoisotopicmass

406.25990

smiles

C(=C/[C@H](C/C=C\CCCCC)OO)\C=C/C/C=C\CCCC(=O)N[C@H](C([O-])=O)C