A5A

'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE


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Chemical Component Summary

Name'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-[(2S)-2-aminopropanoyl]sulfamate
FormulaC13 H19 N7 O7 S
Molecular Weight417.398
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
InChIInChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
InChIKeyCWWYMWDIYBJVLP-YTMOPEAISA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count5
Bond Count49
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03376 
Name5'-O-(N-(Alanyl)sulfamoyl)adenosine
Groups experimental
Synonyms
  • AlaSA
  • Ala-SA
  • 5'-O-(N-(Alanyl)sulfamoyl)adenosine
Categories
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
CAS number112921-04-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Bifunctional glutamate/proline--tRNA ligaseMATLSLTVNSGDPPLGALLAVEHVKDDVSISVEEGKENILHVSENVIFTD...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 44593540, 196672
ChEMBL CHEMBL1163065