Metabolite L-Arginine
- Name
- L-Arginine
- Description
- Not Available
- Structure
Structure for L-Arginine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 174.201
Monoisotopic: 174.111675712 - Chemical Formula
- C6H14N4O2
- InChI Key
- ODKSFYDXXFIFQN-BYPYZUCNSA-N
- InChI
- 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)/t4-/m0/s1
- IUPAC Name
- (2S)-2-amino-5-carbamimidamidopentanoic acid
- SMILES
- N[C@@H](CCCNC(N)=N)C(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 145.7606786 predictedDarkChem Lite v0.1.0 [M-H]- 136.6401136 predictedDarkChem Standard v0.1.0 [M-H]- 145.9838786 predictedDarkChem Lite v0.1.0 [M-H]- 132.66614 predictedDeepCCS 1.0 (2019) [M-H]- 145.7606786 predictedDarkChem Lite v0.1.0 [M-H]- 136.6401136 predictedDarkChem Standard v0.1.0 [M-H]- 145.9838786 predictedDarkChem Lite v0.1.0 [M-H]- 132.66614 predictedDeepCCS 1.0 (2019) [M+H]+ 147.1198786 predictedDarkChem Lite v0.1.0 [M+H]+ 136.5889893 predictedDarkChem Standard v0.1.0 [M+H]+ 147.0957786 predictedDarkChem Lite v0.1.0 [M+H]+ 136.49348 predictedDeepCCS 1.0 (2019) [M+H]+ 147.1198786 predictedDarkChem Lite v0.1.0 [M+H]+ 136.5889893 predictedDarkChem Standard v0.1.0 [M+H]+ 147.0957786 predictedDarkChem Lite v0.1.0 [M+H]+ 136.49348 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.5321786 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.4709786 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.6673786 predictedDarkChem Lite v0.1.0 [M+Na]+ 145.81657 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.5321786 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.4709786 predictedDarkChem Lite v0.1.0 [M+Na]+ 146.6673786 predictedDarkChem Lite v0.1.0 [M+Na]+ 145.81657 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0000517
- KEGG Compound
- C00062
- ChemSpider
- 6082
- BindingDB
- 181132
- ChEBI
- 16467
- ChEMBL
- CHEMBL1485
- ZINC
- ZINC000001532525
- PharmGKB
- PA448478
- Wikipedia
- Arginine
- Predicted Properties
Property Value Source Water Solubility 2.28 mg/mL ALOGPS logP -3.5 ALOGPS logP -3.2 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 2.41 Chemaxon pKa (Strongest Basic) 12.41 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 125.22 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 53.92 m3·mol-1 Chemaxon Polarizability 17.8 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon