Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LMED37
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| Ligand Name |
oxa(dethia)-CoA
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| Synonyms |
oxa(dethia)-CoA; UT7; 2-[N-[(2R)-4-(3'-O-Phosphono-5'-adenylyloxyphosphonyloxy)-2-hydroxy-3,3-dimethylbutyryl]-beta-alanylamino]ethanol
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| Structure |
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Download2D MOL
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| Formula |
C21H36N7O17P3
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| Canonical SMILES |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCO)O
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| InChI |
1S/C21H36N7O17P3/c1-21(2,16(32)19(33)24-4-3-12(30)23-5-6-29)8-42-48(39,40)45-47(37,38)41-7-11-15(44-46(34,35)36)14(31)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,29,31-32H,3-8H2,1-2H3,(H,23,30)(H,24,33)(H,37,38)(H,39,40)(H2,22,25,26)(H2,34,35,36)/t11-,14-,15-,16+,20-/m1/s1
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| InChIKey |
JHUGPYYCEXFQAL-IBOSZNHHSA-N
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| PubChem Compound ID | ||||
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