Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
LA0WD2
|
|||
Ligand Name |
butyryl-CoA
|
|||
Synonyms |
butyryl-CoA; butyryl-coenzyme A; butanoyl-CoA; Coenzyme A, S-butanoate; S-butanoyl-CoA; S-butyryl-CoA; 2140-48-9; butanoyl-coenzyme A; S-Butyryl-coenzym-A; C4:0-CoA; S-butyryl-coenzyme A; S-butanoyl-coenzyme A; Butanoyl coenzyme A; 4:0-CoA; Butyryl coenzyme A; 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate); Butyryl CoA; Coenzyme A, butyryl-; ranosyl]-; SCHEMBL60439; CHEBI:15517; DTXSID70943955; BCO; ZINC8551126; LMFA07050292; ZINC263583615; butyryl-CoA; (Acyl-CoA); [M+H]+;; S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate; C00136; 9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxobutyl)thio]ethyl]amino]propyl]amino]butyl]oxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofu
Click to Show/Hide
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C25H42N7O17P3S
|
|||
Canonical SMILES |
CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
|
|||
InChI |
1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1
|
|||
InChIKey |
CRFNGMNYKDXRTN-CITAKDKDSA-N
|
|||
PubChem Compound ID |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.