Citrulline malateProduct ingredient for Citrulline
- Name
- Citrulline malate
- Drug Entry
- Citrulline
Citrulline is an amino acid. It is made from ornithine and carbamoyl phosphate in one of the central reactions in the urea cycle. It is also produced from arginine as a by-product of the reaction catalyzed by NOS family. Its name is derived from citrullus, the Latin word for watermelon, from which it was first isolated.
- Accession Number
- DBSALT003047
- Structure
Structure for Citrulline malate (DBSALT003047)
- Synonyms
- Citrulline malate / L-Citrulline DL-malate
- UNII
- PAB4036KHO
- CAS Number
- 70796-17-7
- Weight
- Average: 309.275
Monoisotopic: 309.117214584 - Chemical Formula
- C10H19N3O8
- InChI Key
- DROVUXYZTXCEBX-WCCKRBBISA-N
- InChI
- InChI=1S/C6H13N3O3.C4H6O5/c7-4(5(10)11)2-1-3-9-6(8)12;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,10,11)(H3,8,9,12);2,5H,1H2,(H,6,7)(H,8,9)/t4-;/m0./s1
- IUPAC Name
- (2S)-2-amino-5-(carbamoylamino)pentanoic acid; 2-hydroxybutanedioic acid
- SMILES
- OC(CC(O)=O)C(O)=O.N[C@@H](CCCNC(N)=O)C(O)=O
- External Links
- ChemSpider
- 142893
- ChEMBL
- CHEMBL4297667
- Wikipedia
- Citrulline
- Predicted Properties
Property Value Source Water Solubility 21.8 mg/mL ALOGPS logP -3.3 ALOGPS logP -3.9 Chemaxon logS -0.9 ALOGPS pKa (Strongest Acidic) 2.27 Chemaxon pKa (Strongest Basic) 9.23 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 118.44 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 41.33 m3·mol-1 Chemaxon Polarizability 17.37 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