Product Name：
17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA
Other Names： 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA；CHEBI:86308；17-hydroxy-3-ketopregn-4-en-20-carboxy-CoA；17-hydroxy-3-ketopregn-4-en-20-carboxy-coenzyme A；17-hydroxy-3-oxopregn-4-en-20-carboxy-coenzyme A；Q27159069
Other Names： 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA；CHEBI:86308；17-hydroxy-3-ketopregn-4-en-20-carboxy-CoA；17-hydroxy-3-ketopregn-4-en-20-carboxy-coenzyme A；17-hydroxy-3-oxopregn-4-en-20-carboxy-coenzyme A；Q27159069
Structural Information
| Molecular Formula | C43H66N7O19P3S | Molecular Weight | 1110 | ||
| 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] (2S)-2-[(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanethioate | ||||
| InChIKey | UDFHRLPTSACVPG-NSEVOGSXSA-N | ||||
| InChI | InChI=1S/C43H66N7O19P3S/c1-23(43(57)14-10-28-26-7-6-24-18-25(51)8-12-41(24,4)27(26)9-13-42(28,43)5)39(56)73-17-16-45-30(52)11-15-46-37(55)34(54)40(2,3)20-66-72(63,64)69-71(61,62)65-19-29-33(68-70(58,59)60)32(53)38(67-29)50-22-49-31-35(44)47-21-48-36(31)50/h18,21-23,26-29,32-34,38,53-54,57H,6-17,19-20H2,1-5H3,(H,45,52)(H,46,55)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t23-,26-,27+,28+,29-,32-,33-,34+,38-,41+,42+,43?/m1/s1 | ||||
| SMILES | CC(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)C4(CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C)O | ||||
