Basic information
- CAS
79067-61-1- Standard SMILES
N=C(CC(=O)O)C(=O)O- InChIKey
NMUOATVLLQEYHI-UHFFFAOYSA-N- Molecular formula
- C4H5NO4
- Average molar mass
- 131.09 g/mol
- Monoisotopic mass
- 131.02185764
Overview
Iminoaspartic acid is a succinic acid derivative having an imino group at the 2-position. It has a role as an Escherichia coli metabolite. It is an aspartic acid derivative, a ketimine and a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of an iminoaspartate and an iminoaspartate(1-).
Names & identifiers
- Preferred name
- 2-Iminobutanedioic acid
- IUPAC
- 2-iminobutanedioic acid
- English name
- 2-iminobutanedioic acid
- Molecular formula
- C4H5NO4
- Molecular weight
- 0
Names & synonyms
Iminoaspartic acid2-iminobutanedioic acid79067-61-1QHW8YF5XND2-imino-butanedioic acidButanedioic acid, imino-CHEBI:50616RefChem:148009iminoaspartateiminosuccinateiminosuccinic acidalpha-iminosuccinate
Show more names
imino-Butanedioateimino-Butanedioic acidUNII-QHW8YF5XNDSCHEMBL2230776DTXSID30868498BUTANEDIOIC ACID, 2-IMINO-2-AZANYLIDENEBUTANEDIOIC ACIDLMFA01170110
Database identifiers
- CAS
79067-61-1- PubChem CID
- 796
- DTXSID
DTXSID30868498- ChEBI
CHEBI:50616- UNII
- QHW8YF5XND
- Nikkaji
- J1.894.303D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 8 YF5XND · QHW8YF5XND
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Additional notes
DefinitionChEBI: A succinic acid derivative having an imino group at the 2-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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