MEZ

(2E)-2-METHYLBUT-2-ENEDIOIC ACID

Created:	2004-11-18
Last modified:	2024-09-27

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2 entries where MEZ is found as a standalone ligand2 entries where MEZ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of MEZ

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Chemical Component Summary
Name	(2E)-2-METHYLBUT-2-ENEDIOIC ACID
Synonyms	MESACONIC ACID; MESACONATE
Systematic Name (OpenEye OEToolkits)	(E)-2-methylbut-2-enedioic acid
Formula	C₅ H₆ O₄
Molecular Weight	130.099
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)\C=C(\C(=O)O)C
SMILES	CACTVS	3.341	CC(=CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(=C\C(O)=O)/C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C/C(=C\C(=O)O)/C(=O)O
InChI	InChI	1.03	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKey	InChI	1.03	HNEGQIOMVPPMNR-NSCUHMNNSA-N

Related Resource References

Resource Name	Reference
PubChem	638129
ChEBI	CHEBI:16600
CCDC/CSD	WOQBAF02, WOQBAF, FEPFOX, HOLWAI, HOGJOF, HOGKAS, HOLWAI01, HOLWAI02, MESCON, HOLWOW

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.