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

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ChEBI Name 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) ChEBI ID CHEBI:57639 ChEBI ASCII Name 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-) Definition Conjugate 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H10NO6 Net Charge -1 Average Mass 228.17880 Monoisotopic Mass 228.05136 InChI InChI=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 InChIKey FNEGJFDTWWXQES-QTWONPPNSA-M SMILES [NH3+][C@@H](CC(=C\C=O)\C=C(\O)C([O-])=O)C([O-])=O ChEBI Ontology Outgoing 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 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 Sources (2E,4Z,6S)-6-ammonio-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioate ChEBI 4,5-seco-dopa(1−) MetaCyc 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde UniProt 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde anion ChEBI Manual Xref Database CPD-253 MetaCyc View more database links Last Modified 12 July 2023