Chemical Component Summary

NameN-(PHOSPHONACETYL)-L-ASPARTIC ACID
Identifiers(2S)-2-(2-phosphonoethanoylamino)butanedioic acid
FormulaC6 H10 N O8 P
Molecular Weight255.119
TypeNON-POLYMER
Isomeric SMILESC([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O
InChIInChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
InChIKeyZZKNRXZVGOYGJT-VKHMYHEASA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count25
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03459 
NameSparfosic acid
Groups experimental
DescriptionSparfosic acid is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at the terminal nitrogen atom. This substance is known to target aspartate carbamoyltransferase catalytic chain and CAD protein.
Synonyms
  • PALA
  • Acidum sparfosicum
  • N-(phosphonacetyl)-L-aspartic acid
  • phosphonoacetyl-L-aspartic acid
  • N-(phosphonoacetyl)-L-aspartic acid
Categories
  • Acetates
  • Acids, Acyclic
  • Amino Acids
  • Amino Acids, Acidic
  • Amino Acids, Dicarboxylic
CAS number51321-79-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Aspartate carbamoyltransferase catalytic chainMANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFF...unknown
CAD proteinMAALVLEDGSVLRGQPFGAAVSTAGEVVFQTGMVGYPEALTDPSYKAQIL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL504802
PubChem 39981
ChEMBL CHEMBL504802