6247-62-7

Name tiglyl-coenzyme A
CAS 6247-62-7
Molecular Formula C26H42N7O17P3S
Molecular Weight 849.64
MOL File 6247-62-7.mol

Chemical Properties

density  1.79±0.1 g/cm3(Predicted)
pka 1.16±0.50(Predicted)
InChIKey PMWATMXOQQZNBX-NOXORWHSNA-N
SMILES O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C(/C)=C/C)O[C@H]1N1C=NC2C(=NC=NC1=2)N)OP(O)(O)=O |&1:1,2,3,18,38,r|

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