Basic information
- Standard SMILES
O=CCCC(NC(=O)CCC(=O)O)C(=O)O- InChIKey
XTOKIEIBKARFSZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO6
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.07428713
Overview
N2-Succinyl-L-glutamic acid 5-semialdehyde is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- 2-(3-Carboxypropanoylamino)-5-oxopentanoic acid
- IUPAC
- 2-(3-carboxypropanoylamino)-5-oxopentanoic acid
Database identifiers
- PubChem CID
- 556
- DTXSID
DTXSID501343569
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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