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2-hydroxy-5-carboxymethylmuconate semialdehyde

MNXM730491 is deprecated and here replaced by MNXM1107919
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1107919 Image of MNXM1107919
referencechebi:58030
formulaC8H6O6
global charge-2
mol weight198.13
InChIKeyNLXIEJRQAIHYPN-IOBHVTPZSA-L
InChIInChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/p-2/b5-1-,6-2-
SMILESO=C/C(=C\C=C(/O)C(=O)[O-])CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2- Image of MNXM1107919
SMILES (mnx)[CH:1](/[CH:2]=[C:6](/[C:8](=[O:13])[OH:14])[OH:10])=[C:5](\[CH2:3][C:7](=[O:11])[OH:12])[CH:4]=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58030
chebi:58030
NLXIEJRQAIHYPN-IOBHVTPZSA-L 		2-hydroxy-5-carboxymethylmuconate semialdehyde
5-formyl-2-hydroxyhepta-2,4-dienedioate
5-formyl-2-hydroxyhepta-2,4-dienedioate dianion
5-formyl-2-hydroxyhepta-2,4-dienedioate(2-)

sabiork.compound:7459
sabiorkM:7459
NLXIEJRQAIHYPN-IOBHVTPZSA-N 		2-Hydroxy-5-carboxymethylmuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconic semialdehyde

vmhM:5cmhmsa
vmhmetabolite:5cmhmsa
NLXIEJRQAIHYPN-IOBHVTPZSA-L 		5-Carboxymethyl-2-hydroxymuconate semialdehyde
VMH API:automatic:01-Jul-2022 08:51:24

CHEBI:17142
chebi:17142
NLXIEJRQAIHYPN-IOBHVTPZSA-N 		5-formyl-2-hydroxyhepta-2,4-dienedioic acid
2-Hydroxy-5-carboxymethylmuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconate semialdehyde
5-Carboxymethyl-2-hydroxymuconic semialdehyde

lipidmaps:LMFA01030989
lipidmapsM:LMFA01030989
NLXIEJRQAIHYPN-IOBHVTPZSA-N 		5-formyl-2-hydroxyhepta-2,4-dienedioic acid
5-formyl-2-hydroxyhepta-2,4-dienedioic acid
FA 8:4
O4

chebi:1129
chebi:11586
chebi:12114
chebi:27029
vmhM:M_5cmhmsa 		secondary/obsolete/fantasy identifier