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Diadenosine triphosphate

PropertiesImage
MNX_IDMNXM50307 Image of MNXM50307
referencehmdb:HMDB0001155
formulaC20H27N10O16P3
global charge0
mol weight756.412
InChIKeyQCICUPZZLIQAPA-WGIMJHEJSA-N
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)/t7-,8+,11-,12+,13-,14+,19-,20+
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=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/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+ Image of MNXM50307
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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0001155
QCICUPZZLIQAPA-WGIMJHEJSA-N 		Diadenosine triphosphate
5'Ap3a
Adenosine (5')triphospho(5')adenosine
Adenosine 5'-triphosphate 5'-adenosine
Adenosine(3)triphosphate adenosine
Adenosine(5')triphospho(5')adenosine
Ap3a
ApppA
Bis(adenosine)-5'-triphosphate
Diadenosine triphosphoric acid
P1,P3-Bis(5'-adenosyl) triphosphate
[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphinic acid
p(1),(P3)-Bis(5'-adenosyl)triphosphate
p(1),p(3)-Bis(5'-adenosyl) trihydrogen triphosphate
p(1),p(3)-Bis(5'-adenosyl) triphosphate
p(1)-p(3)-Bis(5'-adenosyl) 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](hydroxy)phosphoryl}oxy)phosphinic acid
hmdb:HMDB0304208
QCICUPZZLIQAPA-UHFFFAOYSA-K 		5',5'''-diadenosine triphosphate
5',5'''-diadenosine triphosphoric acid
Bis({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinic acid
bis({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinate
bis({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinate
hmdb:HMDB0247779
QCICUPZZLIQAPA-UHFFFAOYSA-N 		AP3A-lyophilized
5'Ap3a
Adenosine 5'-triphosphate 5'-adenosine
Adenosine(3)triphosphate adenosine
Adenosine(5')triphospho(5')adenosine
Ap3a
ApppA
Diadenosine triphosphate
bis[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
p(1),(P3)-Bis(5'-adenosyl)triphosphate

hmdb:HMDB0001435
hmdb:HMDB01155
hmdb:HMDB01435 		secondary/obsolete/fantasy identifier