Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

CGR

Summary
Name:CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE
Synonyms:CYCLIC GDP-RIBOSE
Formula:C15 H23 N5 O14 P2
Formal charge:0
Formula weight:559.316 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name)

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O
SMILES_CANONICALCACTVS3.341NC1=NC2=C(N3CN2[C@@H]4O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]5O[C@@H]3[C@H](O)[C@@H]5O)[C@@H](O)[C@H]4O)C(=O)N1
SMILESCACTVS3.341NC1=NC2=C(N3CN2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]3[CH](O)[CH]5O)[CH](O)[CH]4O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O
SMILESOpenEye OEToolkits1.5.0C1C2C(C(C(O2)N3CN(C4C(C(C(O4)COP(=O)(OP(=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O
InChIInChI1.03InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
InChIKeyInChI1.03XBIQPWWXYHHVOT-AIKIOGRUSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon