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ADP-D-ribose 2'-phosphate

MNXM734006 is deprecated and here replaced by MNXM1106059
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106059 Image of MNXM1106059
referencechebi:58673
formulaC15H20N5O17P3
global charge-4
mol weight635.265
InChIKeyOCOLIMYIUOUURJ-TYASJMOZSA-J
InChIInChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/p-4/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC4O[C@H](CO)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3OP(=O)([O-])[O-])C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1 Image of MNXM1106059
SMILES (mnx)[CH2:1]([C@@H:5]1[C@@H:8]([OH:22])[C@@H:10]([OH:24])[CH:15]([O:36][P:40]([OH:30])(=[O:31])[O:37][P:39]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:6]2[C@@H:9]([OH:23])[C@@H:11]([O:35][P:38]([OH:25])([OH:26])=[O:27])[C@H:14]([N:20]3[CH:4]=[N:19][C:7]4=[C:12]([NH2:16])[N:17]=[CH:3][N:18]=[C:13]43)[O:33]2)[O:34]1)[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58673
chebi:58673
OCOLIMYIUOUURJ-TYASJMOZSA-J 		ADP-D-ribose 2'-phosphate
2'-phosphonatoadenosine 5'-[3-(D-ribofuranosyl) diphosphate]
ADP-D-ribose 2'-phosphate(4-)

CHEBI:37463
chebi:37463
OCOLIMYIUOUURJ-TYASJMOZSA-N 		ADP-D-ribose 2'-phosphate
2'-phosphoadenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate]
ADP-ribose 2'-phosphate
ADPribose 2'-phosphate
Adenosine diphosphate ribose

vmhM:adprbp
vmhmetabolite:adprbp
OCOLIMYIUOUURJ-TYASJMOZSA-J 		ADP-D-ribose 2-phosphate(4-)
{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxola

bigg.metabolite:adprbp
biggM:adprbp
OCOLIMYIUOUURJ-TYASJMOZSA-J 		ADPribose 2'-phosphate

sabiork.compound:1578
sabiorkM:1578
OCOLIMYIUOUURJ-TYASJMOZSA-N 		ADPribose 2'-phosphate
2'-Phospho-ADP-ribose
2'-Phosphoadenosine 5'-diphosphoribose
2'-Phosphoadenosine diphosphoribose

vmhM:adpr2p
vmhmetabolite:adpr2p
OCOLIMYIUOUURJ-TYASJMOZSA-N 		ADPribose 2-phosphate

chebi:20849
chebi:2352
biggM:M_adprbp
vmhM:M_adpr2p
vmhM:M_adprbp 		secondary/obsolete/fantasy identifier