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CHEBI:58227 - 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−)

Default Structure
ChEBI IDCHEBI:58227
ChEBI Name5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−)
Stars
ASCII Name5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-)
DefinitionAn α-amino-acid anion that is the conjugate base of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde, having anionic carboxy gropus and a cationic amino group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC9H10NO6
Net Charge-1
Average Mass228.180
Monoisotopic Mass228.05136
SMILES[NH3+][C@@H](C/C(C=O)=C/C=C(/O)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/p-1/b5-1-,7-2+/t6-/m0/s1
InChIKeyOAPFPZKGGMKELA-WEBQFGJISA-M
ChEBI Ontology
Outgoing Relation(s)
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:58227) is a α-amino-acid anion (CHEBI:33558)
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:58227) is conjugate base of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:17671)
Incoming Relation(s)
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:17671) is conjugate acid of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1−) (CHEBI:58227)
IUPAC Name 
(2E,4Z,7S)-7-azaniumyl-5-formyl-2-hydroxyocta-2,4-dienedioate
Synonyms  Source
(2E,4Z,7S)-7-ammonio-5-formyl-2-hydroxyocta-2,4-dienedioateIUPAC
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde anionChEBI
UniProt Name  Source
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeUniProt