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CHEBI:73976 - 3-oxo-octacosanoyl-CoA(4−)
| Formula | C49H84N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1184.231 |
| Monoisotopic Mass | 1183.48283 |
| 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)/p-4/t38-,42-,43-,44+,48-/m1/s1 |
| InChIKey | BGWXEUDZICRUBP-YLJNVRNNSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) |
| 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) is a very long-chain 3-oxoacyl-CoA(4−) (CHEBI:90725) |
| 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) is conjugate base of 3-oxo-octacosanoyl-CoA (CHEBI:73975) |
| Incoming Relation(s) |
| 3-oxo-octacosanoyl-CoA (CHEBI:73975) is conjugate acid of 3-oxo-octacosanoyl-CoA(4−) (CHEBI:73976) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxooctacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 3-oxooctacosanoyl-CoA(4−) | SUBMITTER |
| 3-ketomontanoyl-CoA(4−) | SUBMITTER |
| 3-ketooctacosanoyl-CoA(4−) | SUBMITTER |
| 3-oxomontanoyl-coenzyme A(4−) | SUBMITTER |
| 3-ketomontanoyl-coenzyme A(4−) | SUBMITTER |
| 3-oxoC28-CoA(4−) | SUBMITTER |
| UniProt Name | Source |
|---|---|
| 3-oxooctacosanyol-CoA | UniProt |