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CHEBI:17671 - 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

ChEBI IDCHEBI:17671
ChEBI Name5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Stars
ASCII Name5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Secondary ChEBI IDsCHEBI:2023, CHEBI:12093, CHEBI:20529
Last Modified2 December 2010
DownloadsMolfile
FormulaC9H11NO6
Net Charge0
Average Mass229.188
Monoisotopic Mass229.05864
SMILESN[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)/b5-1-,7-2+/t6-/m0/s1
InChIKeyOAPFPZKGGMKELA-WEBQFGJISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:17671) is a (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18634)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid
Synonym  Source
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeKEGG COMPOUND
Manual XrefsDatabases
C04797KEGG COMPOUND