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CHEBI:73975 - 3-oxo-octacosanoyl-CoA
| Formula | C49H88N7O18P3S |
| Net Charge | 0 |
| Average Mass | 1188.263 |
| Monoisotopic Mass | 1187.51194 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=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 | InChI=1S/C49H88N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-36,38,42-44,48,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/t38-,42-,43-,44+,48-/m1/s1 |
| InChIKey | BGWXEUDZICRUBP-YLJNVRNNSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxo-octacosanoyl-CoA (CHEBI:73975) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) |
| 3-oxo-octacosanoyl-CoA (CHEBI:73975) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017) |
| 3-oxo-octacosanoyl-CoA (CHEBI:73975) is conjugate acid of 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) |
| Incoming Relation(s) |
| 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) is conjugate base of 3-oxo-octacosanoyl-CoA (CHEBI:73975) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxooctacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-ketomontanoyl-CoA | SUBMITTER |
| 3-oxomontanoyl coenzyme A | SUBMITTER |
| 3-ketomontanoyl coenzyme A | SUBMITTER |
| 3-oxooctacosanoyl-CoA | SUBMITTER |
| 3-ketooctacosanoyl-CoA | SUBMITTER |
| 3-oxooctacosanoyl coenzyme A | SUBMITTER |