EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76401 - cis-diammine[d(pApG)]platinum

ChEBI IDCHEBI:76401
ChEBI Namecis-diammine[d(pApG)]platinum
Stars
ASCII Namecis-diammine[d(pApG)]platinum
DefinitionA cisplatin-modified (di)nucleotide in which cisplatin has formed an adduct with one molecule of d(pApG), coordinated to platinum through the adenine and guanine N7 atoms.
Last Modified25 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32N12O12P2Pt
Net Charge0
Average Mass889.574
Monoisotopic Mass889.13858
SMILES[H][N]([H])([H])[Pt]1([N]([H])([H])[H])[N]2=CN(c3ncnc(N)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/C20H26N10O12P2.2H3N.Pt/c21-16-14-17(24-5-23-16)29(6-25-14)13-2-9(11(41-13)4-38-43(33,34)35)42-44(36,37)39-3-10-8(31)1-12(40-10)30-7-26-15-18(30)27-20(22)28-19(15)32;;;/h5-13,31H,1-4H2,(H,36,37)(H2,21,23,24)(H2,33,34,35)(H3,22,27,28,32);2*1H3;/t8-,9-,10+,11+,12+,13+;;;/m0.../s1
InChIKeyRRFXREUHSMPYQS-KSBZTZMCSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-diammine[d(pApG)]platinum (CHEBI:76401) has part 5'-d(pApG)-3' (CHEBI:76402)
cis-diammine[d(pApG)]platinum (CHEBI:76401) is a cisplatin-modified (di)nucleotide (CHEBI:76397)
IUPAC Name 
(SP-4-2)-{[3-{[{[5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl-κN7)-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl-κN7)-tetrahydrofuran-2-yl]methyl dihydrogen phosphate}(diammine)platinum
Synonyms  Source
cis-Pt(NH3)2[d(pApG)-N7(1),N7(2)]ChEBI
cis-diammine{2'-deoxyguanylyl-(5'→3')-2'-deoxy-5'-adenylic acid[κ2N7(1),N7(2)]}platinumChEBI
Citations