Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LB1SU0
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| Ligand Name |
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentahydroxy-6-phosphonooxyhexan-2-yl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
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| Structure |
 |
Download2D MOL
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| Formula |
C18H32N4O16P3S+
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| Canonical SMILES |
CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CO)(C(C(C(COP(=O)(O)O)O)O)O)O)CCOP(=O)(O)OP(=O)(O)O
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| InChI |
1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1
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| InChIKey |
AJFWOWNNZFXSES-TXPWEPMLSA-O
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| PubChem Compound ID | ||||
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