CHEBI:165825 - GpA

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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 GpA
ChEBI ID CHEBI:165825
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25N10O11P
Net Charge 0
Average Mass 612.453
Monoisotopic Mass 612.14419
InChI InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)10(32)7(40-18)2-38-42(36,37)41-13-6(1-31)39-19(12(13)34)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKey PBWYGOYNGCCLAU-INFSMZHSSA-N
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@H]2O)C(=O)N1
ChEBI Ontology
Outgoing GpA (CHEBI:165825) is a nucleoside analogue (CHEBI:60783)
GpA (CHEBI:165825) is a purines (CHEBI:26401)
IUPAC Name
(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Manual Xref Database
83986 ChemSpider
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Last Modified
12 May 2021