5')-adenylyl-(2'->5')-adenosine'>
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5'-triphosphoadenylyl-(2'->5')-adenylyl-(2'->5')-adenosine

MNXM97169 is deprecated and here replaced by MNXM741710
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741710 Image of MNXM741710
referencechebi:67143
formulaC30H34N15O25P5
global charge-6
mol weight1159.552
InChIKeyRTAGLZBJCCVJET-UQTMIEBXSA-H
InChIInChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/p-6/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])O[C@@H]2[C@H](O)[C@@H](COP(=O)([O-])O[C@@H]3[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]3N3C=NC4=C3N=CN=C4N)O[C@H]2N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1 Image of MNXM741710
SMILES (mnx)[CH2:1]([C@@H:10]1[C@@H:16]([OH:46])[C@@H:19]([OH:49])[C@H:28]([N:43]2[CH:7]=[N:40][C:13]3=[C:22]([NH2:31])[N:34]=[CH:4][N:37]=[C:25]32)[O:64]1)[O:61][P:72]([OH:53])(=[O:54])[O:67][C@@H:20]1[C@H:17]([OH:47])[C@@H:11]([CH2:2][O:62][P:73]([OH:55])(=[O:56])[O:68][C@@H:21]2[C@H:18]([OH:48])[C@@H:12]([CH2:3][O:63][P:74]([OH:57])(=[O:58])[O:70][P:75]([OH:59])(=[O:60])[O:69][P:71]([OH:50])([OH:51])=[O:52])[O:66][C@H:30]2[N:45]2[CH:9]=[N:42][C:15]3=[C:24]([NH2:33])[N:36]=[CH:6][N:39]=[C:27]32)[O:65][C@H:29]1[N:44]1[CH:8]=[N:41][C:14]2=[C:23]([NH2:32])[N:35]=[CH:5][N:38]=[C:26]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67143
chebi:67143
RTAGLZBJCCVJET-UQTMIEBXSA-H 		5'-triphosphoadenylyl-(2'->5')-adenylyl-(2'->5')-adenosine
pppA2'p5'A2'p5'A

seed.compound:cpd35357
seedM:cpd35357
RTAGLZBJCCVJET-UQTMIEBXSA-I 		adenosine triphosphate adenosine monophosphate adenosine monophosphate
pppA2'p5'A2'p5'A

kegg.compound:C20936
keggC:C20936
RTAGLZBJCCVJET-UQTMIEBXSA-N 		pppA2'p5'A2'p5'A
2',5'-Triadenylate 5'-triphosphate
Trimeric 2-5A

metacyc.compound:CPD-14667
metacycM:CPD-14667
RTAGLZBJCCVJET-UQTMIEBXSA-H 		pppA2'p5'A2'p5'A
adenosine triphosphate adenosine monophosphate adenosine monophosphate

keggC:M_C20936
seedM:M_cpd35357 		secondary/obsolete/fantasy identifier