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ADP-beta-D-ribose

MNXM737049 is deprecated and replaced by MNXM1104545
PropertiesImage
MNX_IDMNXM1104545 Image of MNXM1104545
referencechebi:191409
formulaC15H23N5O14P2
global charge0
mol weight559.318
InChIKeySRNWOUGRCWSEMX-KEOHHSTQSA-N
InChIInChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 Image of MNXM1104545
SMILES (mnx)[CH2:1]([C@@H:5]1[C@@H:8]([OH:21])[C@@H:10]([OH:23])[C@H:14]([N:20]2[CH:4]=[N:19][C:7]3=[C:12]([NH2:16])[N:17]=[CH:3][N:18]=[C:13]32)[O:32]1)[O:30][P:35]([OH:26])(=[O:27])[O:34][P:36]([OH:28])(=[O:29])[O:31][CH2:2][C@@H:6]1[C@@H:9]([OH:22])[C@@H:11]([OH:24])[C@H:15]([OH:25])[O:33]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)56
in models (compartimentalized) 23
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191409
chebi:191409
SRNWOUGRCWSEMX-KEOHHSTQSA-N 		ADP-beta-D-ribose
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
adenosine 5'-[3-(beta-D-ribofuranos-5-O-yl) dihydrogen diphosphate]

reactome:R-ALL-5651834
reactomeM:R-ALL-5651834
CHEBI:16960
chebi:16960
SRNWOUGRCWSEMX-TYASJMOZSA-N 		ADP-D-ribose
(Rib5)ppA
5-(adenosine 5'-pyrophosphoryl)-D-ribose
A5'pp5Rib
ADP ribose
ADP-Rib
ADP-riboses
ADPribose
Adenosine diphosphate ribose
AdoPPRib
D-ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate)
adenosine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribose
adenosine 5'-[3-(D-ribofuranos-5-O-yl) dihydrogen diphosphate]
adenosine 5'-diphosphoribose
adenosine 5'-pyrophosphate, 5'-5-ester with D-ribofuranose
adenosine diphosphate ribose
ribose adenosinediphosphate

reactome:R-ALL-1131972
reactomeM:R-ALL-1131972
reactome:R-ALL-2393945
reactomeM:R-ALL-2393945
reactome:R-ALL-8870342
reactomeM:R-ALL-8870342
reactome:R-ALL-8952905
reactomeM:R-ALL-8952905
reactome:R-ALL-8952909
reactomeM:R-ALL-8952909
CHEBI:57967
chebi:57967
SRNWOUGRCWSEMX-TYASJMOZSA-L 		ADP-D-ribose
ADP-D-ribose(2-)
D-ribofuranos-5-yl-ADP dianion
adenosine 5'-[3-(D-ribofuranos-5-O-yl) diphosphate]

metacyc.compound:ADENOSINE_DIPHOSPHATE_RIBOSE
metacycM:ADENOSINE_DIPHOSPHATE_RIBOSE
SRNWOUGRCWSEMX-TYASJMOZSA-L 		ADP-D-ribose
adenosine 5'-(5-deoxy-D-ribofuranos-5-yl diphosphate)
adenosine 5'-diphosphoribose
adenosine diphosphate D-ribose

kegg.compound:C00301
keggC:C00301
SRNWOUGRCWSEMX-KEOHHSTQSA-N 		ADP-ribose
ADP-D-ribose
Adenosine diphosphate ribose

bigg.metabolite:adprib
biggM:adprib
SRNWOUGRCWSEMX-TYASJMOZSA-L 		ADPribose

seed.compound:cpd00251
seedM:cpd00251
SRNWOUGRCWSEMX-TYASJMOZSA-L 		ADPribose
ADP-D-ribose
ADP-ribose
Adenosine diphosphate ribose
adenosine 5'-(5-deoxy-D-ribofuranos-5-yl diphosphate)
adenosine diphosphate D-ribose
adenosine diphosphate ribose
adprib

sabiork.compound:3120
sabiorkM:3120
SRNWOUGRCWSEMX-TYASJMOZSA-N 		ADPribose
ADP-ribose
Adenosine 5'-diphosphoribose

vmhM:adprib
vmhmetabolite:adprib
SRNWOUGRCWSEMX-TYASJMOZSA-L 		ADPribose
{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl}oxy)phosphinic acid

chebi:13231
chebi:20850
chebi:2351
chebi:32889
chebi:40752
biggM:M_adprib
keggC:M_C00301
seedM:M_cpd00251
vmhM:M_adprib 		secondary/obsolete/fantasy identifier