L-argininate
precursor
Showing entry for L-argininate
Identification
- PhytoHub ID
- PHUB001965
- Name
- L-argininate
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 173.197
- Monoisotopic Mass
- 173.104399255
- Chemical Formula
- C6H13N4O2
- IUPAC Name
- (2S)-2-amino-5-carbamimidamidopentanoate
- InChI Key
- ODKSFYDXXFIFQN-BYPYZUCNSA-M
- InChI Identifier
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1/t4-/m0/s1
- SMILES
N[C@@H](CCCNC(N)=N)C([O-])=O
- Structure
Structure for L-argininate
Calculated Properties
- Solubility (ALOGPS)
- 4.48e+00 g/l
- LogS (ALOGPS)
- -1.63
- LogP (ALOGPS)
- -1.28
- Hydrogen Acceptors
- 6
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 5
- Polar Surface Area
- 128.05
- Refractivity
- 64.7602
- Polarizability
- 17.347564279798842
- Formal Charge
- -1
- Physiological Charge
- 1
- pKa (strongest basic)
- 12.41100429474531
- pKa (strongest acidic)
- 2.4118378885304885
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amino acids
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- L-alpha-amino acids
- Alternative Parent Names
- ["Amino acids", "Carbonyl compounds", "Carboximidamides", "Carboxylic acids", "Fatty acids and conjugates", "Guanidines", "Hydrocarbon derivatives", "Monoalkylamines", "Monocarboxylic acids and derivatives", "Organic anions", "Organic oxides", "Organopnictogen compounds"]
- External Descriptor Annotations
- ["L-alpha-amino acid anion", "argininate"]
- Substituent Names
- ["Aliphatic acyclic compound", "Amine", "Amino acid", "Carbonyl group", "Carboximidamide", "Carboxylic acid", "Fatty acid", "Guanidine", "Hydrocarbon derivative", "L-alpha-amino acid", "Monocarboxylic acid or derivatives", "Organic anion", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| LC-MS/MS | ESI- LC-Q-TOF/MS | Positive | medium | View Spectrum | (70.066,0.999);(116.0717,0.354);(130.0993,0.162);(158.0939,0.126);(175.1195,0.611) | |
| LC-MS/MS | ESI- LC-Q-TOF/MS | Positive | low | View Spectrum | (70.0664,0.999);(116.0718,0.345);(130.0991,0.169);(158.0941,0.13);(175.1195,0.601) | |
| LC-MS/MS | ESI- LC-Q-TOF/MS | Negative | low | View Spectrum | (131.0823,0.999);(173.1039,0.168) |
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available