MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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trans-4-carboxymethylenebut-2-en-4-olide

	Properties	Image
MNX_ID	MNXM732408
reference	chebi:38107
formula	C₆H₄O₄
global charge	0
mol weight	140.094
InChIKey	AYFXPGXAZMFWNH-ARJAWSKDSA-N
InChI	InChI=1S/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3-
SMILES	O=C(O)/C=C1/C=CC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)/b4-3-
SMILES (mnx)	[CH:1]1=[CH:2][C:6](=[O:9])[O:10]/[C:4]1=[CH:3]\[C:5](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:38107 chebi:38107 AYFXPGXAZMFWNH-ARJAWSKDSA-N	trans-4-carboxymethylenebut-2-en-4-olide (2Z)-(5-oxofuran-2(5H)-ylidene)acetic acid trans-4-Carboxymethylenebut-2-en-4-olide
seed.compound:cpd02705 seedM:cpd02705 AYFXPGXAZMFWNH-ARJAWSKDSA-M	4-Carboxymethylenebut-2-en-4-olide cis-4-Carboxymethylenebut-2-en-4-olide cis-4-carboxymethylenebut-2-en-4-olide cis-dienelactone
metacyc.compound:4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE metacycM:4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE AYFXPGXAZMFWNH-ARJAWSKDSA-M	cis-dienelactone cis-4-carboxymethylenebut-2-en-4-olide
envipath:...24027854bfb8 envipathM:...24027854bfb8 envipath:...019678d8240a envipathM:...019678d8240a AYFXPGXAZMFWNH-ARJAWSKDSA-M	compound 0063662
envipath:...55fb3ad75aac envipathM:...55fb3ad75aac sabiork.compound:14866 sabiorkM:14866 kegg.compound:C12838 keggC:C12838 vmhM:t4cmbol vmhmetabolite:t4cmbol AYFXPGXAZMFWNH-ARJAWSKDSA-M AYFXPGXAZMFWNH-ARJAWSKDSA-N	trans-4-Carboxymethylenebut-2-en-4-olide
chebi:27058 chebi:32358 keggC:M_C12838 seedM:M_cpd02705 vmhM:M_t4cmbol	secondary/obsolete/fantasy identifier