EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165818 - dTpdA

ChEBI IDCHEBI:165818
ChEBI NamedTpdA
Stars
Last Modified12 May 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N7O10P
Net Charge0
Average Mass555.441
Monoisotopic Mass555.14788
SMILESCc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)nc1=O
InChIInChI=1S/C20H26N7O10P/c1-9-4-26(20(31)25-19(9)30)15-3-11(12(5-28)35-15)37-38(32,33)34-6-13-10(29)2-14(36-13)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28-29H,2-3,5-6H2,1H3,(H,32,33)(H2,21,22,23)(H,25,30,31)/t10-,11-,12+,13+,14+,15+/m0/s1
InChIKeyCXRZTQSUFKVPHJ-BBZRCZKMSA-N
ChEBI Ontology
Outgoing Relation(s)
dTpdA (CHEBI:165818) is a nucleoside analogue (CHEBI:60783)
dTpdA (CHEBI:165818) is a purines (CHEBI:26401)
IUPAC Name 
[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl hydrogen phosphate