CHEBI:48622 - pGpG

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pGpG
ChEBI ID CHEBI:48622
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000087515472
Download Molfile XML SDF
Formula C20H26N10O15P2
Net Charge 0
Average Mass 708.42636
Monoisotopic Mass 708.10543
InChI InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChIKey ZEHOHLFQOXAZHX-MHARETSRSA-N
SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing pGpG (CHEBI:48622) is a 5'-phospho-(3'→5')-dinucleotide (CHEBI:48638)
pGpG (CHEBI:48622) is conjugate acid of pGpG(3−) (CHEBI:58754)
Incoming pGpG(3−) (CHEBI:58754) is conjugate base of pGpG (CHEBI:48622)
IUPAC Name
5'-O-phosphonoguanylyl-(3'→5')-guanosine
Synonym Source
pG-G CBN
Manual Xref Database
C18076 KEGG COMPOUND
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Registry Number Type Source
955515 Beilstein Registry Number Beilstein
Last Modified
28 July 2014