CHEBI:165817 - dGpdT

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 dGpdT
ChEBI ID CHEBI:165817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N7O11P
Net Charge 0
Average Mass 571.440
Monoisotopic Mass 571.14279
InChI InChI=1S/C20H26N7O11P/c1-8-4-26(20(32)25-17(8)30)13-2-9(29)12(37-13)6-35-39(33,34)38-10-3-14(36-11(10)5-28)27-7-22-15-16(27)23-19(21)24-18(15)31/h4,7,9-14,28-29H,2-3,5-6H2,1H3,(H,33,34)(H,25,30,32)(H3,21,23,24,31)/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKey MBMDDHVKPJWPIP-PRSXHHODSA-N
SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)N3C=NC4=C3N=C(N)NC4=O)O2)C(=O)NC1=O
ChEBI Ontology
Outgoing dGpdT (CHEBI:165817) is a nucleoside analogue (CHEBI:60783)
dGpdT (CHEBI:165817) is a purines (CHEBI:26401)
IUPAC Name
(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Manual Xref Database
9159865 ChemSpider
View more database links
Last Modified
12 May 2021