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2''-O-acetyl-ADP-D-ribose

Properties

Image

Occurences in reactions

MNX_ID

MNXM732228

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	2

formula

C₁₇H₂₃N₅O₁₅P₂

charge

-2

mass

599.06769

reference

chebi:83767

InChIKey

BFNOPXRXIQJDHO-YDKGJHSESA-L

InChI

InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/p-2/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1

SMILES

CC(=O)O[C@H]1C(O)O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83767 chebi:83767	2''-O-acetyl-ADP-D-ribose 2''-O-acetyl-ADP-D-ribose(2-)
reactome:R-ALL-427498 reactomeM:R-ALL-427498 CHEBI:76279 chebi:76279	2''-O-acetyl-ADP-D-ribose 2'-O-acetyl adenosine-5-diphosphoribose 2'-O-acetyl-ADP-ribose 2'-OAADPr O-acetyl-ADP-ribose OAADPr adenosine 5'-[3-(2-O-acetyl-D-ribofuranos-5-O-yl) dihydrogen diphosphate]
metacyc.compound:CPD-14762 metacycM:CPD-14762	2''-O-acetyl-ADP-ribose 2''-OAADPr
kegg.compound:C20658 keggC:C20658	O-Acetyl-ADP-ribose 2''-O-Acetyl-ADP-ribose AADPR
seed.compound:cpd31260 seedM:cpd31260	O-Acetyl-ADP-ribose 2''-O-acetyl-ADP-ribose AADPR
sabiork.compound:22744 sabiorkM:22744	o-Acetyl-ADP-ribose 2'-O-Acetyl-ADP-ribose
keggC:M_C20658 seedM:M_cpd31260	secondary/obsolete/fantasy identifier