CHEBI:165818 - dTpdA

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name dTpdA
ChEBI ID CHEBI:165818
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N7O10P
Net Charge 0
Average Mass 555.441
Monoisotopic Mass 555.14788
InChI InChI=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
InChIKey CXRZTQSUFKVPHJ-BBZRCZKMSA-N
SMILES CC1=CN([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](CO)O2)C(=O)NC1=O
ChEBI Ontology
Outgoing 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
Last Modified
12 May 2021