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CHEBI:76406 - cis-diammine[d(pGpG)]platinum

ChEBI IDCHEBI:76406
ChEBI Namecis-diammine[d(pGpG)]platinum
Stars
ASCII Namecis-diammine[d(pGpG)]platinum
DefinitionA cisplatin-modified (di)nucleotide in which cisplatin has formed an adduct with one molecule of d(pGpG), coordinated to platinum through the N7 atoms of both guanine moieties.
Last Modified25 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32N12O13P2Pt
Net Charge0
Average Mass905.573
Monoisotopic Mass905.13349
SMILES[H][N]([H])([H])[Pt]1([N]([H])([H])[H])[N]2=CN(c3nc(N)nc(=O)c32)[C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3O)N3C=[N]1c1c3nc(N)nc1=O)[C@@H](COP(=O)(O)O)O2
InChIInChI=1S/C20H26N10O13P2.2H3N.Pt/c21-19-25-15-13(17(32)27-19)23-5-29(15)11-1-7(31)9(41-11)3-40-45(37,38)43-8-2-12(42-10(8)4-39-44(34,35)36)30-6-24-14-16(30)26-20(22)28-18(14)33;;;/h5-12,31H,1-4H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33);2*1H3;/t7-,8-,9+,10+,11+,12+;;;/m0.../s1
InChIKeyIDHDKQFZBZWDHS-UAICMQSMSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-diammine[d(pGpG)]platinum (CHEBI:76406) has part 5'-d(pGpG)-3' (CHEBI:76403)
cis-diammine[d(pGpG)]platinum (CHEBI:76406) is a cisplatin-modified (di)nucleotide (CHEBI:76397)
IUPAC Name 
(SP-4-2)-{[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl-κN7)-3-{[{[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl-κN7)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate}(diammine)platinum
Synonyms  Source
cis-diammine{2'-deoxyguanylyl-(5'→3')-2'-deoxy-5'-guanylic acid[κ2N7(1),N7(2)]}platinumChEBI
cis-Pt(NH3)2[d(pGpG)-N7(1),N7(2)]ChEBI
Citations