产品名称：
(3S)-3-hydroxydocosanoyl-CoA
其他名称： (3S)-3-hydroxydocosanoyl-CoA；(3S)-3-hydroxybehenoyl-CoA；CHEBI:87780；(3S)-3-hydroxybehenoyl-coenzyme A；(3S)-3-hydroxydocosanoyl-coenzyme A；Q27159927；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
其他名称： (3S)-3-hydroxydocosanoyl-CoA；(3S)-3-hydroxybehenoyl-CoA；CHEBI:87780；(3S)-3-hydroxybehenoyl-coenzyme A；(3S)-3-hydroxydocosanoyl-coenzyme A；Q27159927；3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
结构信息
| 分子式 | C43H78N7O18P3S | 分子量 | 1106.1 | ||
| 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] (3S)-3-hydroxydocosanethioate | ||||
| InChIKey | VNJQSRVXTRJVAZ-HXFYSNAESA-N | ||||
| InChI | InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/t31-,32+,36+,37+,38-,42+/m0/s1 | ||||
| SMILES | CCCCCCCCCCCCCCCCCCCC(CC(=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)O | ||||
