iso-ADP-ribose

Type : Aminopurin, Purine, Ribose

Chemical_Nomenclature : [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Canonical SMILES : C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N

InChI : InChI=1S\/C15H23N5O14P2\/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26\/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)\/t5-,6-,8-,9-,10-,11-,14-,15+\/m1\/s1

InChIKey : BHIWBSNWEZIHHL-ZQSHOCFMSA-N

Other name(s) : pRib-AMP  ||  2-(5''-Phosphoribosyl)-5'-amp  ||  2'-(5''-Phosphoribosyl)-5'-adenosine monophosphate  ||  Ribosyladenosine 5',5''-bis(phosphate)  ||  CHEBI:76110

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Families : iso-ADP-ribose ligand of proteins in family
Plant_lipase_EDS1-like

Structure :
9JBN 8ZWA

Protein :
arath-PAD4 arath-eds1