CHEBI:16098 - 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
ChEBI ID CHEBI:16098
ChEBI ASCII Name 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1773, CHEBI:11937, CHEBI:20292
Supplier Information
Download Molfile XML SDF
Formulae C9H11NO6
C9H11NO6
Net Charge 0
Average Mass 229.18670
Monoisotopic Mass 229.05864
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)/b5-1-,7-4+/t6-/m0/s1
InChIKey FNEGJFDTWWXQES-QTWONPPNSA-N
SMILES [H]C(=O)\C=C(C[C@H](N)C(O)=O)/C=C(/O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098) is a (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18634)
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)
Incoming 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)
IUPAC Name
(2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid
Synonyms Sources
(2E,4Z)-4-(L-alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid ChEBI
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde KEGG COMPOUND
Manual Xrefs Databases
C04796 KEGG COMPOUND
C17758 KEGG COMPOUND
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Last Modified
28 July 2014