CHEBI:165826 - GpG

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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 GpG
ChEBI ID CHEBI:165826
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25N10O12P
Net Charge 0
Average Mass 628.452
Monoisotopic Mass 628.13910
InChI InChI=1S/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChIKey MNXLMHSUERRXOE-MHARETSRSA-N
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1
ChEBI Ontology
Outgoing GpG (CHEBI:165826) is a nucleoside analogue (CHEBI:60783)
GpG (CHEBI:165826) is a purines (CHEBI:26401)
IUPAC Name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate
Manual Xref Database
85068 ChemSpider
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Last Modified
12 May 2021