Chemical Component Summary

NameSouth-methanocarba-2'-deoxyadenosine triphosphate
Identifiers[[(1S,2R,3S,5S)-5-(6-aminopurin-9-yl)-3-oxidanyl-2-bicyclo[3.1.0]hexanyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
FormulaC12 H18 N5 O11 P3
Molecular Weight501.22
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@]34C[C@H]3[C@@H]([C@H](C4)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
InChIInChI=1S/C12H18N5O11P3/c13-10-9-11(15-4-14-10)17(5-16-9)12-1-7(12)6(8(18)2-12)3-26-30(22,23)28-31(24,25)27-29(19,20)21/h4-8,18H,1-3H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t6-,7-,8-,12-/m0/s1
InChIKeyDNBZILMJAUSGHT-QZOVBDONSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count4
Bond Count52
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 3013624