Acetylornithine
Basic information
- CAS
6205-08-9- Standard SMILES
CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-]- InChIKey
JRLGPAXAGHMNOL-LURJTMIESA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Overview
N(2)-acetyl-L-ornithine zwitterion is an amino acid zwitterion of N2-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the -amino group; major species at pH 7.3. It has a role as an Escherichia coli metabolite and a human metabolite. It is a tautomer of a N(2)-acetyl-L-ornithine.
Names & identifiers
- Preferred name
- Acetylornithine
- IUPAC
- (2S)-2-acetamido-5-azaniumylpentanoate
- English name
- N-ALPHA-ACETYL-L-ORNITHINE
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
acetylornithine(2S)-2-acetamido-5-azaniumylpentanoateN2-acetyl-ornithineN-alpha-acetylornithineCHEBI:57805N(2)-acetyl-L-ornithine zwitterion(2S)-2-acetamido-5-ammoniopentanoateN2-Acetyl-L-ornithinenα-acetyl-l-ornithine(S)-2-Acetamido-5-aminopentanoic acidAC-OM-OHAC-ORN-OH
Show more names
AC-ORNITHINEN-ACETYL-L-ORNAcetyl-ornithineACETYL-L-ORNITHINEArginine Impurity 19
Database identifiers
- CAS
6205-08-9- PubChem CID
- 6992102
- ChEBI
CHEBI:57805
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
LogP-0.896
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 204 · 204-205oC
- Boiling point
- 436.2 · 436.2±40.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Aqueous Acid (Sparingly, Sonicated), Aqueous Base (Sparingly), Water (Sparingly)
- form
- Solid
- pka
- 3.41 · 3.41±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- 1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Tissue LocationsProstate
Applications
UsesNα-Acetyl-L-ornithine is used in the identification of type 2 diabetes group through topological analysis of patient similarity.
Additional notes
DefinitionChEBI: An N2-acyl-L-ornithine where the acyl group is specified to be acetyl.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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