Search MNXref
 Feedback

P(1),P(3)-bis(5'-adenosyl) triphosphate

PropertiesImage
MNX_IDMNXM3683 Image of MNXM3683
referencechebi:58529
formulaC20H24N10O16P3
global charge-3
mol weight753.388
InChIKeyQCICUPZZLIQAPA-XPWFQUROSA-K
InChIInChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H2,21,23,25)(H2,22,24,26)/p-3/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H](N5C=NC6=C(N)N=CN=C65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 Image of MNXM3683
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:43]1)[O:41][P:47]([OH:35])(=[O:36])[O:45][P:49]([OH:39])(=[O:40])[O:46][P:48]([OH:37])(=[O:38])[O:42][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:44]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58529
chebi:58529
QCICUPZZLIQAPA-XPWFQUROSA-K 		P(1),P(3)-bis(5'-adenosyl) triphosphate
P(1),P(3)-bis(5'-adenosyl) triphosphate(3-)

seed.compound:cpd03705
seedM:cpd03705
QCICUPZZLIQAPA-XPWFQUROSA-K 		ApppA
5',5'''-diadenosine triphosphate
5'Ap3A
Adenosine 5'-triphosphate 5'-adenosine
Ap3A
P1,P3-Bis(5'-adenosyl) triphosphate
P1,P3-bis(5'-adenosyl)triphosphate
adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine
adenosine(5')triphospho(5')adenosine
bis(5'-adenosyl) triphosphate

vmhM:M01360
vmhmetabolite:M01360
QCICUPZZLIQAPA-XPWFQUROSA-K 		Diadenosine triphosphate
{[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hyd

CHEBI:27775
chebi:27775
QCICUPZZLIQAPA-XPWFQUROSA-N 		P(1),P(3)-bis(5'-adenosyl) triphosphate
5'Ap3A
A(5')p3(5')A
Adenosine 5'-triphosphate 5'-adenosine
Adenosine(3)triphosphate adenosine
Ap3A
ApppA
Diadenosine triphosphate
P(1),P(3)-bis(5'-adenosyl) trihydrogen triphosphate
P1,P3-Bis(5'-adenosyl) triphosphate
adenosine(5')triphospho(5')adenosine

bigg.metabolite:apppa
biggM:apppa 		P1,P3-Bis(5'-adenosyl) triphosphate

kegg.compound:C06197
keggC:C06197
QCICUPZZLIQAPA-XPWFQUROSA-N 		P1,P3-Bis(5'-adenosyl) triphosphate
Adenosine 5'-triphosphate 5'-adenosine
ApppA

sabiork.compound:1859
sabiorkM:1859
QCICUPZZLIQAPA-XPWFQUROSA-N 		P1,P3-Bis(5'-adenosyl) triphosphate
ApppA

metacyc.compound:ADENOSINE5TRIPHOSPHO5ADENOSINE
metacycM:ADENOSINE5TRIPHOSPHO5ADENOSINE
QCICUPZZLIQAPA-XPWFQUROSA-K 		P1,P3-bis(5'-adenosyl) triphosphate
5',5'''-diadenosine triphosphate
5'Ap3A
Ap3A
adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine
adenosine(5')triphospho(5')adenosine
bis(5'-adenosyl) triphosphate

chebi:12728
chebi:21997
chebi:7874
biggM:M_apppa
keggC:M_C06197
seedM:M_cpd03705
vmhM:M_M01360 		secondary/obsolete/fantasy identifier