CHEBI:142721 - N2-(ADP-D-ribosyl)-3',5'-cyclic GMP(3−)

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ChEBI Name N2-(ADP-D-ribosyl)-3',5'-cyclic GMP(3−)
ChEBI ID CHEBI:142721
ChEBI ASCII Name N(2)-(ADP-D-ribosyl)-3',5'-cyclic GMP(3-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C25H30N10O20P3
Net Charge -3
Average Mass 883.483
Monoisotopic Mass 883.08672
InChI InChI=1S/C25H33N10O20P3/c26-18-10-19(28-4-27-18)34(5-29-10)23-15(39)13(37)8(52-23)2-50-58(46,47)55-57(44,45)49-1-7-12(36)14(38)22(51-7)33-25-31-20-11(21(41)32-25)30-6-35(20)24-16(40)17-9(53-24)3-48-56(42,43)54-17/h4-9,12-17,22-24,36-40H,1-3H2,(H,42,43)(H,44,45)(H,46,47)(H2,26,27,28)(H2,31,32,33,41)/p-3/t7-,8-,9-,12-,13-,14-,15-,16-,17-,22?,23-,24-/m1/s1
InChIKey JAHNWSMQWATOLB-SMYGHKHBSA-K
SMILES [C@@H]12[C@H](O[C@H]([C@@H]1O)N3C=NC4=C3N=C(NC4=O)NC5O[C@H](COP(OP(OC[C@H]6O[C@@H](N7C8=C(C(=NC=N8)N)N=C7)[C@@H]([C@@H]6O)O)(=O)[O-])(=O)[O-])[C@H]([C@H]5O)O)COP([O-])(O2)=O
ChEBI Ontology
Outgoing N2-(ADP-D-ribosyl)-3',5'-cyclic GMP(3−) (CHEBI:142721) has functional parent 3',5'-cyclic GMP(1−) (CHEBI:57746)
N2-(ADP-D-ribosyl)-3',5'-cyclic GMP(3−) (CHEBI:142721) has functional parent ADP-D-ribose(2−) (CHEBI:57967)
N2-(ADP-D-ribosyl)-3',5'-cyclic GMP(3−) (CHEBI:142721) is a nucleotide-sugar oxoanion (CHEBI:59737)
Synonyms Sources
N2-(ADP-D-ribosyl)-3',5'-cyclic GMP UniProt
N2-(ADP-D-ribosyl)-cGMP SUBMITTER