PAZ

N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
Identifiers3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoic acid
FormulaC9 H18 N O8 P
Molecular Weight299.215
TypeNON-POLYMER
Isomeric SMILESCC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O
InChIInChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
InChIKeyXHFVGHPGDLDEQO-ZETCQYMHSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count36
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB16966 
NamePhosphopantothenic acid
Groups experimental
Synonyms
  • 4'-phosphopantothenic acid
  • D-pantothenic acid 4'-phosphate
  • 4'-phospho-d-pantothenic acid
  • .beta.-alanine, n-((2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-
  • Pantothenic acid, 4'-(dihydrogen phosphate)
Categories
  • Alanine
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Imides
CAS number5875-50-3

Related Resource References

Resource NameReference
PubChem 41635
ChEBI CHEBI:15905