Product Name：
2-methyl-3-oxopalmitoyl-CoA
Other Names： 2-methyl-3-oxopalmitoyl-CoA；3-keto-2-methylpalmitoyl-CoA；2-methyl-3-oxohexadecanoyl-CoA；3-keto-2-methylhexadecanoyl-CoA；CHEBI:86317；2-methyl-3-oxopalmitoyl-coenzyme A；3-keto-2-methylpalmitoyl-coenzyme A；2-methyl-3-oxohexadecanoyl-coenzyme A；3-keto-2-methylhexadecanoyl-coenzyme A；Q27159077；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Other Names： 2-methyl-3-oxopalmitoyl-CoA；3-keto-2-methylpalmitoyl-CoA；2-methyl-3-oxohexadecanoyl-CoA；3-keto-2-methylhexadecanoyl-CoA；CHEBI:86317；2-methyl-3-oxopalmitoyl-coenzyme A；3-keto-2-methylpalmitoyl-coenzyme A；2-methyl-3-oxohexadecanoyl-coenzyme A；3-keto-2-methylhexadecanoyl-coenzyme A；Q27159077；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Structural Information
| Molecular Formula | C38H66N7O18P3S | Molecular Weight | 1034 | ||
| IUPAC Name | 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] 2-methyl-3-oxohexadecanethioate | ||||
| InChIKey | WUWKXNAGPVGNAF-PDKNGGRYSA-N | ||||
| InChI | InChI=1S/C38H66N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(46)25(2)37(51)67-20-19-40-28(47)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-31(62-64(52,53)54)30(48)36(61-27)45-24-44-29-33(39)42-23-43-34(29)45/h23-25,27,30-32,36,48-49H,5-22H2,1-4H3,(H,40,47)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t25?,27-,30-,31-,32+,36-/m1/s1 | ||||
| SMILES | CCCCCCCCCCCCCC(=O)C(C)C(=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 | ||||
