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CHEBI:57639 - 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−)

ChEBI IDCHEBI:57639
ChEBI Name4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−)
Stars
ASCII Name4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-)
DefinitionConjugate base of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde having anionic carboxy groups and a protonated primary amine; major species at pH 7.3.
Last Modified12 July 2023
DownloadsMolfile
FormulaC9H10NO6
Net Charge-1
Average Mass228.180
Monoisotopic Mass228.05136
SMILES[NH3+][C@@H](CC(=C/C=O)/C=C(/O)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/p-1/b5-1-,7-4+/t6-/m0/s1
InChIKeyFNEGJFDTWWXQES-QTWONPPNSA-M
ChEBI Ontology
Outgoing Relation(s)
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:57639) is a dicarboxylic acid anion (CHEBI:35693)
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:57639) is conjugate base of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098)
Incoming Relation(s)
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098) is conjugate acid of 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:57639)
IUPAC Name 
(2E,4Z,6S)-6-azaniumyl-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioate
Synonyms  Source
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde anionChEBI
(2E,4Z,6S)-6-ammonio-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioateChEBI
4,5-seco-dopa(1−)MetaCyc
UniProt Name  Source
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeUniProt
Manual XrefsDatabases
CPD-253MetaCyc