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ADP-alpha-D-ribose 1'',2''-cyclic phosphate

PropertiesImage
MNX_IDMNXM6154 Image of MNXM6154
referencechebi:76596
formulaC15H19N5O16P3
global charge-3
mol weight618.258
InChIKeyNPSPRYXPOGPCPM-KEOHHSTQSA-K
InChIInChI=1S/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/p-3/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]3OP(=O)([O-])O[C@@H]3[C@@H]2O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 Image of MNXM6154
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:37]([OH:24])(=[O:25])[O:36][P:38]([OH:26])(=[O:27])[O:31][CH2:2][C@@H:6]1[C@@H:9]([OH:22])[C@@H:11]2[C@H:15]([O:33]1)[O:35][P:39]([OH:28])(=[O:29])[O:34]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76596
chebi:76596
NPSPRYXPOGPCPM-KEOHHSTQSA-K 		ADP-alpha-D-ribose 1'',2''-cyclic phosphate
5'-O-{[({[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dioxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}phosphinato)oxy]phosphinato}adenosine
ADP-alpha-D-ribose 1'',2''-cyclic phosphate(3-)

metacyc.compound:CPD-9007
metacycM:CPD-9007
NPSPRYXPOGPCPM-TYASJMOZSA-K 		ADP ribose 1'',2''-cyclic phosphate
ADP ribose 1'',2''-phosphate
ADP ribose 1''-2''-cyclic phosphate
Appr>p
adenosine diphosphate ribose 1'',2''-cyclic phosphate

CHEBI:48582
chebi:48582
NPSPRYXPOGPCPM-KEOHHSTQSA-N 		ADP-alpha-D-ribose 1'',2''-cyclic phosphate
ADP-ribose 1'',2''-cyclic phosphate
ADP-ribose 1''-2'' cyclic phosphate
Appr>p
adenosine 5'-[3-(1,2-O-phospho-alpha-D-ribofuranos-5-O-yl) dihydrogen diphosphate]

seed.compound:cpd21093
seedM:cpd21093
NPSPRYXPOGPCPM-KEOHHSTQSA-K 		ADP-ribose 1'',2''-phosphate
ADP ribose 1'',2''-cyclic phosphate
ADP ribose 1'',2''-phosphate
ADP ribose 1''-2''-cyclic phosphate
ADP-ribose 1",2"-cyclic phosphate
Appr>p
adenosine diphosphate ribose 1'',2''-cyclic phosphate

kegg.compound:C19851
keggC:C19851
NPSPRYXPOGPCPM-KEOHHSTQSA-N 		ADP-ribose 1'',2''-phosphate
ADP-ribose 1",2"-cyclic phosphate

sabiork.compound:27431
sabiorkM:27431
NPSPRYXPOGPCPM-KEOHHSTQSA-N 		ADPribose 1'',2''-cyclic phosphate

keggC:M_C19851
seedM:M_cpd21093 		secondary/obsolete/fantasy identifier