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CHEBI:131656 - Nα-acetyl-Nτ-(1,4-dihydroxynonan-3-yl)-L-histidine

ChEBI IDCHEBI:131656
ChEBI NameNα-acetyl-Nτ-(1,4-dihydroxynonan-3-yl)-L-histidine
Stars
ASCII NameN(alpha)-acetyl-N(tele)-(1,4-dihydroxynonan-3-yl)-L-histidine
DefinitionAn L-histidine derivative in which the α-amino nitrogen of the amino acid has entered into amide formation with acetic acid and the τ- nitrogen carries a 1,4-dihydroxynonan-3-yl substituent. It has been synthesised by reaction of (E)-4-hydroxynon-2-enal (HNE) with N-acetyl-L-histidine, the τ nitrogen of histidine reacting with the double bond function of HNE via formation of a Michael adduct.
Last Modified5 April 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H29N3O5
Net Charge0
Average Mass355.435
Monoisotopic Mass355.21072
SMILESCCCCCC(O)C(CCO)n1cnc(C[C@H](NC(C)=O)C(=O)O)c1
InChIInChI=1S/C17H29N3O5/c1-3-4-5-6-16(23)15(7-8-21)20-10-13(18-11-20)9-14(17(24)25)19-12(2)22/h10-11,14-16,21,23H,3-9H2,1-2H3,(H,19,22)(H,24,25)/t14-,15?,16?/m0/s1
InChIKeyCMZGBPQGJLBJTA-FHERZECASA-N
ChEBI Ontology
Outgoing Relation(s)
Nα-acetyl-Nτ-(1,4-dihydroxynonan-3-yl)-L-histidine (CHEBI:131656) is a L-histidine derivative (CHEBI:84076)
IUPAC Name 
Nα-acetyl-Nτ-(1,4-dihydroxynonan-3-yl)-L-histidine
Synonyms  Source
N-acetyl-1-(1,4-dihydroxynonan-3-yl)-L-histidineChEBI
N-acetyl-3-(1,4-dihydroxynonan-3-yl)-L-histidineChEBI
HNE-modified N-acetyl histidineChEBI
N-acetyl-3-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-histidineChEBI
N-acetyl-1-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-histidineChEBI
Citations