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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](C\C(=C\C=O)\C=C(\O)C([O-])=O)C([O-])=O |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 8 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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keggC:C04796 | 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde |
metacycM:CPD-253 | 4,5-seco-dopa 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde |
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: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-) |
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 |
keggC:C17758 seedM:cpd17855 | 4,5-seco-Dopa |