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2-amino-3-carboxymuconate 6-semialdehyde

PropertiesImage
MNX_IDMNXM1105948 Image of MNXM1105948
referencechebi:77803
formulaC7H6NO5
global charge-1
mol weight184.127
InChIKeyKACPVQQHDVBVFC-UHFFFAOYSA-M
InChIInChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1
SMILES[NH3+]C(C(=O)[O-])=C(C=CC=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1?,5-4? Image of MNXM1105948
SMILES (mnx)[CH:1](=[CH:2][C:4](=[C:5]([C:7](=[O:12])[OH:13])[NH2:8])[C:6](=[O:10])[OH:11])[CH:3]=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-36027
reactomeM:R-ALL-36027
CHEBI:77803
chebi:77803
KACPVQQHDVBVFC-UHFFFAOYSA-M 		2-amino-3-carboxymuconate 6-semialdehyde
2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-)
2-azaniumyl-3-(3-oxoprop-1-enyl)but-2-enedioate

CHEBI:29044
chebi:29044
KACPVQQHDVBVFC-UHFFFAOYSA-L 		2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate

CHEBI:19448
chebi:19448
KACPVQQHDVBVFC-UHFFFAOYSA-N 		2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid
2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid

chebi:11504
chebi:11505
chebi:19447 		secondary/obsolete/fantasy identifier