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

Properties

Image

Occurences in reactions

MNX_ID

MNXM2082

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

formula

C₉H₁₀NO₆

charge

-1

mass

228.05136

reference

InChIKey

FNEGJFDTWWXQES-QTWONPPNSA-M

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

SMILES

[NH3+][C@@H](CC(=C/C=O)/C=C(/O)C(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57639 chebi:57639	4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (2E,4Z,6S)-6-ammonio-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioate (2E,4Z,6S)-6-azaniumyl-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioate 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde anion 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-)
seed.compound:cpd17855 seedM:cpd17855 kegg.compound:C17758 keggC:C17758	4,5-seco-Dopa
metacyc.compound:CPD-253 metacycM:CPD-253	4,5-seco-dopa 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
kegg.compound:C04796 keggC:C04796	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
seed.compound:cpd02914 seedM:cpd02914	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde 4,5-seco-Dopa 4,5-seco-dopa 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
CHEBI:16098 chebi:16098	4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (2E,4Z)-4-(L-alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid (2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
chebi:11937 chebi:1773 chebi:20292 keggC:M_C04796 keggC:M_C17758 seedM:M_cpd02914 seedM:M_cpd17855	secondary/obsolete/fantasy identifier