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P(1),P(6)-bis(5'-adenosyl) hexaphosphate

PropertiesImage
MNX_IDMNXM2551 Image of MNXM2551
referencechebi:63740
formulaC20H24N10O25P6
global charge-6
mol weight990.301
InChIKeyPZCFFCOJNXGTIM-XPWFQUROSA-H
InChIInChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)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)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/p-6/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-])OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)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)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 Image of MNXM2551
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:49]1)[O:47][P:56]([OH:35])(=[O:36])[O:51][P:58]([OH:39])(=[O:40])[O:53][P:60]([OH:43])(=[O:44])[O:55][P:61]([OH:45])(=[O:46])[O:54][P:59]([OH:41])(=[O:42])[O:52][P:57]([OH:37])(=[O:38])[O:48][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:50]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-6810468
reactomeM:R-ALL-6810468
CHEBI:63740
chebi:63740
PZCFFCOJNXGTIM-XPWFQUROSA-H 		P(1),P(6)-bis(5'-adenosyl) hexaphosphate
P(1),P(6)-bis(5'-adenosyl)hexaphosphate
P(1),P(6)-bis(5'-adenosyl)hexaphosphate(6-)
hmdb:HMDB0001282
PZCFFCOJNXGTIM-XPWFQUROSA-N 		Diadenosine hexaphosphate
AP6a
Adenosine 5'-(heptahydrogen hexaphosphate) p->5'-ester with adenosine
Adenosine 5'-(heptahydrogen hexaphosphate)5'-5'-ester with adenosine
Adenosine 5'-hexaphosphate 5'-ester with adenosine
Adenosine 5'-hexaphosphoric acid 5'-ester with adenosine
Adenosine-(5')-hexaphospho-(5')-adenosine
Ap(6)a
AppppppA
Diadenosine 5',5''''-P1,P6-hexaphosphate
Diadenosine 5',5''''-P1,P6-hexaphosphoric acid
Diadenosine hexaphosphoric acid
P1,P6-Bis(5'-adenosyl)hexaphosphoric acid
P1,P6-Di(adenosine-5')hexaphosphate
P1,P6-Di(adenosine-5')hexaphosphoric acid
p(1),p(6)-Bis(5'-adenosyl)hexaphosphoric acid
{[(2R,3S,4R,5R)-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](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid

CHEBI:63689
chebi:63689
PZCFFCOJNXGTIM-XPWFQUROSA-N 		P(1),P(6)-bis(5'-adenosyl)hexaphosphate
AP6A
Adenosine 5'-hexaphosphate 5'-ester with adenosine
Adenosine-(5')-hexaphospho-(5')-adenosine
Ap(6)A
AppppppA
Diadenosine 5',5''''-P1,P6-hexaphosphate
Diadenosine hexaphosphate
P1,P6-di(Adenosine-5')hexaphosphate
adenosine(5')hexaphospho(5')adenosine

kegg.compound:C20190
keggC:C20190
PZCFFCOJNXGTIM-XPWFQUROSA-N 		P1,P6-Bis(5'-adenosyl)hexaphosphate

seed.compound:cpd21423
seedM:cpd21423
PZCFFCOJNXGTIM-XPWFQUROSA-H 		P1,P6-Bis(5'-adenosyl)hexaphosphate
5',5'''-diadenosine hexaphosphate
Ap6A
AppppppA
P(1),P(6)-di(adenosine-5'-)hexaphosphate
P1,P6-di(adenosine-5')-hexaphosphate
P1-P6-bis(5'-adenosyl) hexaphosphate
adenosine(5')hexaphospho(5')adenosine
bis(5'-adenosyl) hexaphosphate

metacyc.compound:CPD-11932
metacycM:CPD-11932
PZCFFCOJNXGTIM-XPWFQUROSA-H 		P1,P6-bis(5'-adenosyl) hexaphosphate
5',5'''-diadenosine hexaphosphate
Ap6A
AppppppA
P(1),P(6)-di(adenosine-5'-)hexaphosphate
P1-P6-bis(5'-adenosyl) hexaphosphate
adenosine(5')hexaphospho(5')adenosine
bis(5'-adenosyl) hexaphosphate

hmdb:HMDB01282
keggC:M_C20190
seedM:M_cpd21423 		secondary/obsolete/fantasy identifier