CHEBI:165808 - dApdC

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 dApdC
ChEBI ID CHEBI:165808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H25N8O9P
Net Charge 0
Average Mass 540.430
Monoisotopic Mass 540.14821
InChI InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)14-3-9(29)12(35-14)6-33-37(31,32)36-10-4-15(34-11(10)5-28)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1
InChIKey QYDPROPQRFNEDI-IDMWBNCISA-N
SMILES NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N2C=NC3=C(N)N=CN=C23)O1
ChEBI Ontology
Outgoing dApdC (CHEBI:165808) is a nucleoside analogue (CHEBI:60783)
dApdC (CHEBI:165808) is a purines (CHEBI:26401)
IUPAC Name
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate
Last Modified
12 May 2021