Basic information
- CAS
69199-37-7- Standard SMILES
O=C(O)C(O)CCNC(C(=O)O)C(O)CN1CCC1C(=O)O- InChIKey
GJRGEVKCJPPZIT-UHFFFAOYSA-N- Molecular formula
- C12H20N2O8
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.1219656
Overview
Isomugineic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Names & identifiers
- Preferred name
- Isomugineic acid
- IUPAC
- 1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl]azetidine-2-carboxylic acid
Names & synonyms
Isomugineic acidMugineic_acidSCHEMBL13131755DTXSID90988904CHEBI:175088Q36045424-(2-Carboxyazetidin-1-yl)-N-(3-carboxy-3-hydroxypropyl)threonine1-[3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl]azetidine-2-carboxylic acidN-[3-((3-carboxy-3-hydroxypropyl)amino)-3-carboxy-2-hydroxypropyl] azetidine-2-carboxylic acid
Database identifiers
- CAS
69199-37-7、74281-81-5- PubChem CID
- 3085404
- DTXSID
DTXSID90988904- ChEBI
CHEBI:175088- Nikkaji
- J3.246.272C
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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