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P(1),P(4)-bis(5'-xanthosyl) tetraphosphate

PropertiesImage
MNX_IDMNXM12557 Image of MNXM12557
referencechebi:28400
formulaC20H26N8O23P4
global charge0
mol weight870.357
InChIKeyPNTZPNDMKHCLNV-MHARETSRSA-N
InChIInChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
SMILESO=C1NC(=O)C2=C(N1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](N4C=NC5=C4NC(=O)NC5=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1O)C=N2
MNX internals
InChI (mnx)InChI=1/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 Image of MNXM12557
SMILES (mnx)[CH2:1]([C@@H:5]1[C@@H:9]([OH:29])[C@@H:11]([OH:31])[C@H:17]([N:27]2[CH:3]=[N:21][C:7]3=[C:13]2[N:23]=[C:19]([OH:35])[N:25]=[C:15]3[OH:33])[O:47]1)[O:45][P:52]([OH:37])(=[O:38])[O:49][P:54]([OH:41])(=[O:42])[O:51][P:55]([OH:43])(=[O:44])[O:50][P:53]([OH:39])(=[O:40])[O:46][CH2:2][C@@H:6]1[C@@H:10]([OH:30])[C@@H:12]([OH:32])[C@H:18]([N:28]2[CH:4]=[N:22][C:8]3=[C:14]2[N:24]=[C:20]([OH:36])[N:26]=[C:16]3[OH:34])[O:48]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28400
chebi:28400
PNTZPNDMKHCLNV-MHARETSRSA-N 		P(1),P(4)-bis(5'-xanthosyl) tetraphosphate
P1,P4-Bis(5'-xanthosyl) tetraphosphate
XppppX
xanthosine(5')tetraphospho(5')xanthosine
hmdb:HMDB0003834
PNTZPNDMKHCLNV-MHARETSRSA-N 		P1,P4-Bis(5'-xanthosyl) tetraphosphate
P1,P4-Bis(5'-xanthosyl) tetraphosphoric acid
XPPPPX
[(2R,3S,4R,5R)-5-(2,6-dioxo-1,3-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[({[(2R,3S,4R,5R)-5-(2,6-dioxo-1,3-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphinic acid
p(1),p(4)-Bis(5'-xanthosyl) tetraphosphoric acid
{[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid

kegg.compound:C04392
keggC:C04392
PNTZPNDMKHCLNV-MHARETSRSA-N 		P1,P4-Bis(5'-xanthosyl) tetraphosphate
XppppX

seed.compound:cpd02686
seedM:cpd02686
PNTZPNDMKHCLNV-MHARETSRSA-J 		XppppX
P1,P4-Bis(5'-xanthosyl) tetraphosphate

hmdb:HMDB03834
chebi:22001
chebi:7878
keggC:M_C04392
seedM:M_cpd02686 		secondary/obsolete/fantasy identifier