Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1UB8R
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| Ligand Name |
P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
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| Synonyms |
13457-68-6; Ap(5)dT; P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate; CHEMBL1794614; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate; Adenosine 5'-(pentahydrogen tetraphosphate), P'''-5'-ester with thymidine; Ap4dT; 4TA; P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE; CHEMBL603793; DTXSID90158807; BDBM50367703; P(1)-(adenosine-5/')-P(5)-(thymidine-5/')-pentaphosphate
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| Structure |
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Download2D MOL
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| Formula |
C20H29N7O20P4
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| Canonical SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O
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| InChI |
1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
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| InChIKey |
WLGHSSFVEUABFP-SLFMBYJQSA-N
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| PubChem Compound ID | ||||
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