Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
LDI35R
|
|||
Ligand Name |
[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxopropyl)thio]ethyl}amino)propyl]amino}butyl Dihydrogen Diphosphate
|
|||
Synonyms |
Acetonyl-coenzyme A; 75179-85-0; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate; [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)tetrahydrofuran-2-Yl]methyl (3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxopropyl)thio]ethyl}amino)propyl]amino}butyl Dihydrogen Diphosphate; S-Acetonyl coa; S-Acetonyl-coa; SOP; S-Acetonyl-coenzyme A; Coenzyme A, S-(2-oxopropyl)-; DTXSID50996646; S-(2-OXOPROPYL)-COENZYME A; S-Acetonyl CoA; (Acyl-CoA); [M+H]+;; Q27465440; (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN; 9-{5-O-[{[(3,4-Dihydroxy-4-{[3-hydroxy-3-({2-[(2-oxopropyl)sulfanyl]ethyl}imino)propyl]imino}-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
Click to Show/Hide
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C24H40N7O17P3S
|
|||
Canonical SMILES |
CC(=O)CSCCNC(=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/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1
|
|||
InChIKey |
GAMKENBUYYJLCQ-NDZSKPAWSA-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.