Showing Metabocard for 3-oxododecanoyl-CoA (BASm0004332)
| Common Name | 3-oxododecanoyl-coa |
|---|---|
| Description | 3-oxo-dodecanoyl-CoA is classified as a member of the 3-oxo-acyl CoAs. 3-oxo-acyl CoAs are organic compounds containing a 3-oxo acylated coenzyme A derivative. 3-oxo-dodecanoyl-CoA is considered to be slightly soluble (in water) and acidic. 3-oxo-dodecanoyl-CoA is a fatty ester lipid molecule |
| Structure | |
| Molecular Formula | C33H56N7O18P3S |
| Average Mass | 963.82000 |
| Monoisotopic Mass | 963.26154 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCCCCCCCC(=O)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/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t22-,26?,27+,28+,32-/m1/s1 |
| InChI Key | HQANBZHVWIDNQZ-CQGYPEFWSA-N |
| CHEBI ID | CHEBI:62615 |
| HMDB ID | HMDB0062368 |
| State | Not Available |
| 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 |