CHEBI:165807 - dApdA

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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 dApdA
ChEBI ID CHEBI:165807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25N10O8P
Net Charge 0
Average Mass 564.456
Monoisotopic Mass 564.15944
InChI InChI=1S/C20H25N10O8P/c21-17-15-19(25-5-23-17)29(7-27-15)13-1-9(32)12(37-13)4-35-39(33,34)38-10-2-14(36-11(10)3-31)30-8-28-16-18(22)24-6-26-20(16)30/h5-14,31-32H,1-4H2,(H,33,34)(H2,21,23,25)(H2,22,24,26)/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKey VYQONXIMMXHHKS-PRSXHHODSA-N
SMILES NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)O[C@H]4C[C@@H](O[C@@H]4CO)N4C=NC5=C(N)N=CN=C45)O3)C2=NC=N1
ChEBI Ontology
Outgoing dApdA (CHEBI:165807) is a nucleoside analogue (CHEBI:60783)
dApdA (CHEBI:165807) is a purines (CHEBI:26401)
IUPAC Name
(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Manual Xref Database
9072304 ChemSpider
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Last Modified
12 May 2021