Showing Metabocard for (3E,5Z,8Z,11Z,14Z)-eicosapentaenoyl-CoA (BASm0007258)
| Common Name | (3e,5z,8z,11z,14z)-eicosapentaenoyl-coa |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C41H60N7O17P3S |
| Average Mass | 1047.95000 |
| Monoisotopic Mass | 1047.30012 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-20,28-30,34-36,40,51-52H,4-7,10,13,16,21-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17-,20-19+/t30?,34?,35?,36?,40-/m0/s1 |
| InChI Key | PHIGJHMEMQBUMA-RUYDWXMQSA-J |
| CHEBI ID | CHEBI:85090 |
| MiMeDB ID | MMDBc0049190 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |