Search MNXref
 Feedback

trans-2-carboxybenzylidenepyruvic acid

MNXM4119 is deprecated and here replaced by MNXM735667
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735667 Image of MNXM735667
referencechebi:15612
formulaC11H8O5
global charge0
mol weight220.18
InChIKeyAPKXMKWCGDBYNV-AATRIKPKSA-N
InChIInChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+
SMILESO=C(O)C(=O)/C=C/C1=C(C(=O)O)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+ Image of MNXM735667
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([C:10](=[O:13])[OH:14])[C:7](/[CH:5]=[CH:6]/[C:9]([C:11]([OH:15])=[O:16])=[O:12])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15612
chebi:15612
APKXMKWCGDBYNV-AATRIKPKSA-N 		trans-2-carboxybenzylidenepyruvic acid
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
2-[(1E)-3-carboxy-3-oxoprop-1-en-1-yl]benzoic acid
trans-2'-Carboxybenzalpyruvate

kegg.compound:C01275
keggC:C01275
APKXMKWCGDBYNV-AATRIKPKSA-N 		(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
trans-2'-Carboxybenzalpyruvate

metacyc.compound:CPD-241
metacycM:CPD-241
APKXMKWCGDBYNV-AATRIKPKSA-L 		(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate
2'-carboxybenzalpyruvate

seed.compound:cpd00937
seedM:cpd00937
APKXMKWCGDBYNV-AATRIKPKSA-L 		trans-2'-Carboxybenzalpyruvate
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate
2'-carboxybenzalpyruvate

CHEBI:27040
chebi:27040
APKXMKWCGDBYNV-AATRIKPKSA-L 		trans-2-carboxybenzylidenepyruvate(2-)
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate
(E)-2-carboxybenzalpyruvate
(E)-2-carboxybenzylidenepyruvate
2-[(1E)-3-carboxylato-3-oxoprop-1-en-1-yl]benzoate
2-[(E)-3-carboxylato-3-oxoprop-1-en-1-yl]benzoate
trans-2-carboxybenzalpyruvate
trans-2-carboxybenzylidenepyruvate anion
trans-2-carboxybenzylidenepyruvate dianion

envipath:...79303339236d
envipathM:...79303339236d
APKXMKWCGDBYNV-AATRIKPKSA-L 		trans-2`-Carboxybenzalpyruvate

chebi:10877
chebi:18557
chebi:194
keggC:M_C01275
seedM:M_cpd00937 		secondary/obsolete/fantasy identifier