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

PropertiesImage
MNX_IDMNXM1368852 Image of MNXM1368852
referencechebi:58227
formulaC9H10NO6
global charge-1
mol weight228.18
InChIKeyOAPFPZKGGMKELA-WEBQFGJISA-M
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)/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 Image of MNXM1368852
SMILES (mnx)[CH:1](/[CH:2]=[C:7](\[C:9](=[O:15])[OH:16])[OH:12])=[C:5](\[CH2:3][C@@H:6]([C:8](=[O:13])[OH:14])[NH2:10])[CH:4]=[O:11]
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
IdentifierDescription

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