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

MNXM726639 is deprecated and here replaced by MNXM1103833
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103833 Image of MNXM1103833
referencechebi:58141
formulaC20H24N10O19P4
global charge-4
mol weight832.359
InChIKeyYOAHKNVSNCMZGQ-XPWFQUROSA-J
InChIInChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 Image of MNXM1103833
SMILES (mnx)[CH2:1]([C@@H:7]1[C@@H:11]([OH:31])[C@@H:13]([OH:33])[C@H:19]([N:29]2[CH:5]=[N:27][C:9]3=[C:15]([NH2:21])[N:23]=[CH:3][N:25]=[C:17]32)[O:45]1)[O:43][P:50]([OH:35])(=[O:36])[O:47][P:52]([OH:39])(=[O:40])[O:49][P:53]([OH:41])(=[O:42])[O:48][P:51]([OH:37])(=[O:38])[O:44][CH2:2][C@@H:8]1[C@@H:12]([OH:32])[C@@H:14]([OH:34])[C@H:20]([N:30]2[CH:6]=[N:28][C:10]3=[C:16]([NH2:22])[N:24]=[CH:4][N:26]=[C:18]32)[O:46]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9825701
reactomeM:R-ALL-9825701
CHEBI:58141
chebi:58141
YOAHKNVSNCMZGQ-XPWFQUROSA-J 		P(1),P(4)-bis(5'-adenosyl) tetraphosphate
P(1),P(4)-bis(5'-adenosyl) tetraphosphate tetraanion
P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-)

seed.compound:cpd00924
seedM:cpd00924
YOAHKNVSNCMZGQ-XPWFQUROSA-J 		AppppA
5',5'''-diadenosine tetraphosphate
Ap4A
P(1),P(4)-bis(5'-adenosyl)tetraphosphate
P1,P4-Bis(5'-adenosyl) tetraphosphate
P1,P4-Bis(5'-adenosyl)tetraphosphate
P1,P4-bis(5'-adenosyl)tetraphosphate
ap4a
bis(5'-adenosyl) tetraphosphate
p(1),p(4)-bis(5'-adenosyl)tetraphosphate
hmdb:HMDB0001211
YOAHKNVSNCMZGQ-XPWFQUROSA-N 		Diadenosine tetraphosphate
(PpA)2
5',5'''-diadenosine tetraphosphate
Adenosine 5'-tetraphosphate, 5'-ester with adenosine
Adenosine(5')tetraphospho(5')adenosine
Adenosine-(5')-tetraphospho-(5')-adenosine
Ap4a
AppppA
Bis(5'-adenosyl)tetraphosphate
Bis(5'-adenylyl) diphosphate
Bis(5'-adenylyl) diphosphoric acid
Diadenosine 5',5'''-P(1),P(4)--tetraphosphate
Diadenosine 5',5'''-P1,P4-tetraphosphate
Diadenosine tetraphosphoric acid
P(1), P(4)-Diadenosine-5'tetraphosphate
P1,P4-Bis(5'-adenosyl) tetraphosphate
P1,P4-Bis(5'-adenosyl) tetraphosphoric acid
P1,P4-Bis(5'-adenosyl)tetraphosphoric acid
P1,P4-Di(adenosin-5'-yl)tetraphosphate
P1,P4-Diadenosine-5'-tetraphosphate
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
a(5')P4(5')a
appppa
p(1),p(4)-Bis(5'-adenosyl) tetraphosphoric acid

CHEBI:17422
chebi:17422
YOAHKNVSNCMZGQ-XPWFQUROSA-N 		P(1),P(4)-bis(5'-adenosyl) tetraphosphate
(ppA)2
A(5')p4(5')A
AppppA
P1,P4-Bis(5'-adenosyl) tetraphosphate
adenosine(5')tetraphospho(5')adenosine
bis(5'-adenylyl) diphosphate

vmhM:ap4a
vmhmetabolite:ap4a
YOAHKNVSNCMZGQ-XPWFQUROSA-J 		P(1),P(4)-bis(5-adenosyl) tetraphosphate(4-)
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(h

bigg.metabolite:ap4a
biggM:ap4a
YOAHKNVSNCMZGQ-XPWFQUROSA-J 		P1,P4-Bis(5'-adenosyl) tetraphosphate

sabiork.compound:1707
sabiorkM:1707
YOAHKNVSNCMZGQ-XPWFQUROSA-N 		P1,P4-Bis(5'-adenosyl) tetraphosphate
Ap4A
AppppA

kegg.compound:C01260
keggC:C01260
YOAHKNVSNCMZGQ-XPWFQUROSA-N 		P1,P4-Bis(5'-adenosyl)tetraphosphate
AppppA

metacyc.compound:ADENOSYL-P4
metacycM:ADENOSYL-P4
YOAHKNVSNCMZGQ-XPWFQUROSA-J 		P1,P4-bis(5'-adenosyl) tetraphosphate
5',5'''-diadenosine tetraphosphate
Ap4A
AppppA
P(1),P(4)-bis(5'-adenosyl)tetraphosphate
bis(5'-adenosyl) tetraphosphate

hmdb:HMDB01211
chebi:12726
chebi:12729
chebi:21998
chebi:7875
biggM:M_ap4a
keggC:M_C01260
seedM:M_cpd00924
vmhM:M_ap4a 		secondary/obsolete/fantasy identifier