Methylenesuccinate(2-)
Basic information
- CAS
2964-00-3- Standard SMILES
C=C(CC(=O)[O-])C(=O)[O-]- InChIKey
LVHBHZANLOWSRM-UHFFFAOYSA-L- Molecular formula
- C5H4O4-2
- Average molar mass
- 128.08 g/mol
- Monoisotopic mass
- 128.01205577
Overview
Itaconate(2-) is a dicarboxylic acid dianion that results from the deprotonation of both of the carboxylic acid groups of itaconic acid. It has a role as a Saccharomyces cerevisiae metabolite, a fungal metabolite and a human metabolite. It is functionally related to a succinate(2-). It is a conjugate base of an itaconic acid.
Names & identifiers
- Preferred name
- Methylenesuccinate(2-)
- IUPAC
- 2-methylidenebutanedioate
Names & synonyms
Methylenesuccinate(2-)2-methylidenebutanedioateitaconate(2-)Succinic acid, methylene-, ion(2-)2964-00-3CHEBI:17240methylenesuccinic acid, ion(2-)DTXSID50183817Q27102278
Database identifiers
- CAS
2964-00-3- PubChem CID
- 5459996
- DTXSID
DTXSID50183817- ChEBI
CHEBI:17240
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- -2
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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