**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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

Properties Image MNX_ID MNXM1368852 reference chebi:58227 formula C9H10NO6 global charge -1 mol weight 228.18 InChIKey OAPFPZKGGMKELA-WEBQFGJISA-M InChI InChI=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 SMILES [NH3+][C@@H](C/C(C=O)=C/C=C(/O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [C:1](\[CH2:2][O:12]([O:13]([OH:14])=[O:15])[OH:16])(=[CH:3]\[CH:5]=[C:7](/[C:8]([NH2:10])=[O:11])[CH3:9])[CH:4]=[CH2:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58227 chebi:58227 OAPFPZKGGMKELA-WEBQFGJISA-M	5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (2E,4Z,7S)-7-ammonio-5-formyl-2-hydroxyocta-2,4-dienedioate (2E,4Z,7S)-7-azaniumyl-5-formyl-2-hydroxyocta-2,4-dienedioate 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde anion 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde(1-)
metacyc.compound:CPD-252 metacycM:CPD-252 OAPFPZKGGMKELA-WEBQFGJISA-M	2,3-seco-dopa 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde AHMS
kegg.compound:C04797 keggC:C04797 OAPFPZKGGMKELA-WEBQFGJISA-N	5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (2E,4Z,7S)-7-Amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid
CHEBI:17671 chebi:17671 lipidmaps:LMFA01170073 lipidmapsM:LMFA01170073 OAPFPZKGGMKELA-WEBQFGJISA-N	5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid 5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
chebi:12093 chebi:2023 chebi:20529 keggC:M_C04797	secondary/obsolete/fantasy identifier