Basic information
- CAS
63409-16-5- Standard SMILES
NCCCC(NC(CCC(=O)O)C(=O)O)C(=O)O- InChIKey
UXZAXFPFSQRZOZ-UHFFFAOYSA-N- Molecular formula
- C10H18N2O6
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.1164863
Overview
Ornaline is a glutamic acid derivative in which one of the amino hydrogens of glutamic acid has been replaced by a 4-amino-1-carboxybutyl group. It has a role as a plant metabolite. It is a glutamic acid derivative, an ornithine derivative, a tricarboxylic acid and a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- Nopalinic acid
- IUPAC
- 2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
Names & synonyms
Nopalinic acidOrnaline2-[(4-amino-1-carboxybutyl)amino]pentanedioic acidCHEBI:1339212-((4-amino-1-carboxybutyl)amino)pentanedioic acidRefChem:109256763409-16-5N2-(1,3-Dicarboxypropyl)ornithineN-(4-amino-1-carboxybutyl)glutamic acidC01683SCHEMBL30770774UXZAXFPFSQRZOZ-UHFFFAOYSA-N
Show more names
DTXSID001243308N-(4-Amino-1-carboxybutyl)glutamic acid, 9CIN-[(1S)-4-Amino-1-carboxybutyl]-D-glutamic acid
Database identifiers
- CAS
63409-16-5- PubChem CID
- 4474580
- DTXSID
DTXSID001243308- ChEBI
CHEBI:133921
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
1 records
Compound notes
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