SA8

S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE

Created:2005-03-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count5
Bond Count52
Aromatic Bond Count10
2D diagram of SA8

Chemical Component Summary

NameS-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Synonyms5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-amino]butanoic acid
FormulaC15 H23 N7 O5
Molecular Weight381.387
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
SMILESCACTVS3.341CN(CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits1.5.0CN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILESCACTVS3.341 CN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChIInChI1.03 InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKeyInChI1.03 JISVTSUBJCPLSV-TWBCTODHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03458 
NameN(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid
Groups experimental
DescriptionN(4)-adenosyl-n(4)-methyl-2,4-diaminobutanoic acid is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Synonyms
  • 5'-{[(3S)-3-Amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine
  • N(4)-Adenosyl-N(4)-methyl-2,4-diaminobutanoic acid
Categories
  • Acids, Acyclic
  • Amino Acids
  • Amino Acids, Peptides, and Proteins
  • Butyrates
CAS number111770-79-7

Related Resource References

Resource NameReference
PubChem 188380
ChEMBL CHEMBL1235825