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

MNXM732229 is deprecated and replaced by MNXM732228
PropertiesImage
MNX_IDMNXM732228 Image of MNXM732228
referencechebi:83767
formulaC17H23N5O15P2
global charge-2
mol weight599.339
InChIKeyBFNOPXRXIQJDHO-YDKGJHSESA-L
InChIInChI=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
SMILESCC(=O)O[C@H]1C(O)O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1 Image of MNXM732228
SMILES (mnx)[CH3:1][C:6](=[O:23])[O:34][C@@H:13]1[C@H:11]([OH:25])[C@@H:8]([CH2:3][O:33][P:39]([OH:30])(=[O:31])[O:37][P:38]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:7]2[C@@H:10]([OH:24])[C@@H:12]([OH:26])[C@H:16]([N:22]3[CH:5]=[N:21][C:9]4=[C:14]([NH2:18])[N:19]=[CH:4][N:20]=[C:15]43)[O:35]2)[O:36][CH:17]1[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5688337
reactomeM:R-ALL-5688337
CHEBI:83767
chebi:83767
BFNOPXRXIQJDHO-YDKGJHSESA-L 		2''-O-acetyl-ADP-D-ribose
2''-O-acetyl-ADP-D-ribose(2-)

reactome:R-ALL-427498
reactomeM:R-ALL-427498
reactome:R-ALL-5688340
reactomeM:R-ALL-5688340
reactome:R-ALL-9667956
reactomeM:R-ALL-9667956
CHEBI:76279
chebi:76279
BFNOPXRXIQJDHO-YDKGJHSESA-N 		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
BFNOPXRXIQJDHO-YDKGJHSESA-L 		2''-O-acetyl-ADP-ribose
2''-OAADPr

kegg.compound:C20658
keggC:C20658
BFNOPXRXIQJDHO-YDKGJHSESA-N 		O-Acetyl-ADP-ribose
2''-O-Acetyl-ADP-ribose
AADPR

seed.compound:cpd31260
seedM:cpd31260
BFNOPXRXIQJDHO-YDKGJHSESA-L 		O-Acetyl-ADP-ribose
2''-O-acetyl-ADP-ribose
AADPR

sabiork.compound:22744
sabiorkM:22744
BFNOPXRXIQJDHO-YDKGJHSESA-N 		o-Acetyl-ADP-ribose
2'-O-Acetyl-ADP-ribose

keggC:M_C20658
seedM:M_cpd31260 		secondary/obsolete/fantasy identifier