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2'-phospho-cyclic ADP-ribose

MNXM114500 is deprecated and here replaced by MNXM1371013
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371013 Image of MNXM1371013
referencechebi:75970
formulaC15H19N5O16P3
global charge-3
mol weight618.258
InChIKeyFUQPZSKOSARDNY-KEOHHSTQSA-K
InChIInChI=1S/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H4,24,25,26,27,28,29,30)/p-3/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
SMILESNC1=[N+]2C=NC3=C1N=CN3[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C15H22N5O16P3/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(33-14)1-31-38(27,28)36-39(29,30)32-2-6-9(22)11(35-37(24,25)26)15(34-6)20(13)3-17-7/h3-6,8-11,14-16,21-23H,1-2H2,(H4,24,25,26,27,28,29,30)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 Image of MNXM1371013
SMILES (mnx)[CH2:1]1[C@@H:5]2[C@@H:8]([OH:21])[C@@H:10]([OH:23])[C@H:14]([N+:19]3=[C:12]([NH2:16])[C:7]4=[C:13]([N:18]=[CH:4]3)[N:20]([CH:3]=[N:17]4)[C@H:15]3[C@H:11]([O:35][P:37](=[O:24])([O-:25])[OH:26])[C@H:9]([OH:22])[C@@H:6]([CH2:2][O:32][P:39](=[O:29])([OH:30])[O:36][P:38]([OH:27])(=[O:28])[O:31]1)[O:34]3)[O:33]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75970
chebi:75970
FUQPZSKOSARDNY-KEOHHSTQSA-K 		2'-phospho-cyclic ADP-ribose
2'-phospho-cyclic ADP-ribose(3-)
cADPRP
cyclic adenosine diphosphate ribose phosphate

metacyc.compound:CPD-15008
metacycM:CPD-15008
CHEBI:76081
chebi:76081
FUQPZSKOSARDNY-KEOHHSTQSA-K
FUQPZSKOSARDNY-KEOHHSTQSA-O 		2'-phospho-cyclic ADP-ribose
cADPRP
cyclic adenosine diphosphate ribose phosphate