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CHEBI:234255 - 7-carboxyadenylyl-7-carbaguanine(1−)

ChEBI IDCHEBI:234255
ChEBI Name7-carboxyadenylyl-7-carbaguanine(1−)
Stars
ASCII Name7-carboxyadenylyl-7-carbaguanine(1-)
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H17N9O9P
Net Charge-1
Average Mass522.351
Monoisotopic Mass522.08923
SMILESNc1nc(=O)c2c(C(=O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)cnc2n1
InChIInChI=1S/C17H18N9O9P/c18-11-8-13(22-3-21-11)26(4-23-8)15-10(28)9(27)6(34-15)2-33-36(31,32)35-16(30)5-1-20-12-7(5)14(29)25-17(19)24-12/h1,3-4,6,9-10,15,27-28H,2H2,(H,31,32)(H2,18,21,22)(H4,19,20,24,25,29)/p-1/t6-,9-,10-,15-/m1/s1
InChIKeyVGFXPTLQBBOKFK-NCEGKOTBSA-M
ChEBI Ontology
Outgoing Relation(s)
7-carboxyadenylyl-7-carbaguanine(1−) (CHEBI:234255) is a organophosphate oxoanion (CHEBI:58945)
Synonym  Source
2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxyl 5'-adenylate(1−)SUBMITTER
UniProt Name  Source
7-carboxyadenylyl-7-carbaguanineUniProt
Citations