APO

D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID

Created:2002-03-27
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count1
Bond Count17
Aromatic Bond Count0
2D diagram of APO

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Chemical Component Summary

NameD-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-phosphono-propanoic acid
FormulaC3 H8 N O5 P
Molecular Weight169.073
TypeD-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CP(=O)(O)O
SMILESCACTVS3.341N[CH](C[P](O)(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)N)P(=O)(O)O
Canonical SMILESCACTVS3.341 N[C@H](C[P](O)(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H](C(=O)O)N)P(=O)(O)O
InChIInChI1.03 InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyInChI1.03 LBTABPSJONFLPO-UWTATZPHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03292 
Name3-Phosphono-D-alanine
Groups experimental
Synonyms
  • (S)-2-Amino-3-phosphonopropanoic acid
  • 3-Phosphono-D-alanine
  • D-2-Amino-3-phosphonopropionic acid
CAS number128241-72-5

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Phosphoserine phosphataseMVSHSELRKLFYSADAVCFDVDSTVIREEGIDELAKICGVEDAVSEMTRR...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
PubChem 446873
ChEMBL CHEMBL1231023