SRP

SERYL ADENYLATE

Created:2004-06-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count6
Bond Count50
Aromatic Bond Count10
2D diagram of SRP

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Chemical Component Summary

NameSERYL ADENYLATE
Systematic Name (OpenEye OEToolkits)[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-amino-3-hydroxy-propanoate
FormulaC13 H19 N6 O9 P
Molecular Weight434.299
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CO
SMILESCACTVS3.341N[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC(=O)C(CO)N)O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CO)C(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N
InChIInChI1.03 InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
InChIKeyInChI1.03 UVSYURUCZPPUQD-MACXSXHHSA-N

Related Resource References

Resource NameReference
PubChem 90658332, 5289403
ChEBI CHEBI:61645