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GpCpCpA

PropertiesImage
MNX_IDMNXM1128615 Image of MNXM1128615
referencechebi:167197
formulaC38H46N16O25P3
global charge-3
mol weight1219.795
InChIKeyZWEBKXFMFBISCQ-OOMRTMTCSA-K
InChIInChI=1S/C38H49N16O25P3/c39-16-1-3-51(37(62)47-16)33-23(59)26(78-80(64,65)70-6-13-20(56)21(57)32(74-13)53-10-45-18-28(41)43-9-44-29(18)53)15(76-33)8-72-82(68,69)79-27-14(75-34(24(27)60)52-4-2-17(40)48-38(52)63)7-71-81(66,67)77-25-12(5-55)73-35(22(25)58)54-11-46-19-30(54)49-36(42)50-31(19)61/h1-4,9-15,20-27,32-35,55-60H,5-8H2,(H,64,65)(H,66,67)(H,68,69)(H2,39,47,62)(H2,40,48,63)(H2,41,43,44)(H3,42,49,50,61)/p-3/t12-,13-,14-,15-,20-,21-,22-,23-,24-,25-,26-,27-,32-,33-,34-,35-/m1/s1
SMILESNC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](N4C=CC(N)=NC4=O)O[C@@H]3COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](N4C=NC5=C4N=C(N)NC5=O)O[C@@H]3CO)[C@@H](OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C38H49N16O25P3/c39-16-1-3-51(37(62)47-16)33-23(59)26(78-80(64,65)70-6-13-20(56)21(57)32(74-13)53-10-45-18-28(41)43-9-44-29(18)53)15(76-33)8-72-82(68,69)79-27-14(75-34(24(27)60)52-4-2-17(40)48-38(52)63)7-71-81(66,67)77-25-12(5-55)73-35(22(25)58)54-11-46-19-30(54)49-36(42)50-31(19)61/h1-4,9-15,20-27,32-35,55-60H,5-8H2,(H,64,65)(H,66,67)(H,68,69)(H2,39,47,62)(H2,40,48,63)(H2,41,43,44)(H3,42,49,50,61)/t12-,13-,14-,15-,20-,21-,22-,23-,24-,25-,26-,27-,32-,33-,34-,35-/m1/s1 Image of MNXM1128615
SMILES (mnx)[CH:1]1=[CH:3][N:51]([C@H:33]2[C@H:23]([OH:59])[C@H:26]([O:78][P:80]([OH:64])(=[O:65])[O:70][CH2:6][C@@H:13]3[C@@H:20]([OH:56])[C@@H:21]([OH:57])[C@H:32]([N:53]4[CH:10]=[N:45][C:18]5=[C:28]([NH2:41])[N:43]=[CH:9][N:44]=[C:29]54)[O:74]3)[C@@H:15]([CH2:8][O:72][P:82]([OH:68])(=[O:69])[O:79][C@@H:27]3[C@@H:14]([CH2:7][O:71][P:81]([OH:66])(=[O:67])[O:77][C@@H:25]4[C@@H:12]([CH2:5][OH:55])[O:73][C@@H:35]([N:54]5[CH:11]=[N:46][C:19]6=[C:30]5[NH:49][C:36](=[NH:42])[N:50]=[C:31]6[OH:61])[C@@H:22]4[OH:58])[O:75][C@@H:34]([N:52]4[CH:4]=[CH:2][C:17](=[NH:40])[N:48]=[C:38]4[OH:63])[C@@H:24]3[OH:60])[O:76]2)[C:37]([OH:62])=[N:47][C:16]1=[NH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167197
chebi:167197
ZWEBKXFMFBISCQ-OOMRTMTCSA-K 		GpCpCpA
5'-GpCpCpA-3'(3-)
guanosyl-(5'->3')-cytidylyl-(5'->3')-cytidylyl-(5'->3')-adenosine