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CHEBI:52966 - hexacosanoyl-CoA
| Formula | C47H86N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1146.226 |
| Monoisotopic Mass | 1145.50138 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/t36-,40-,41-,42+,46-/m1/s1 |
| InChIKey | FHLYYFPJDVYWQH-CPIGOPAHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hexacosanoyl-CoA (CHEBI:52966) has functional parent hexacosanoic acid (CHEBI:31009) |
| hexacosanoyl-CoA (CHEBI:52966) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| hexacosanoyl-CoA (CHEBI:52966) is a saturated fatty acyl-CoA (CHEBI:231546) |
| hexacosanoyl-CoA (CHEBI:52966) is a very long-chain fatty acyl-CoA (CHEBI:61910) |
| hexacosanoyl-CoA (CHEBI:52966) is conjugate acid of hexacosanoyl-CoA(4−) (CHEBI:64868) |
| Incoming Relation(s) |
| 3-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent hexacosanoyl-CoA (CHEBI:52966) |
| hexacosanoyl-CoA(4−) (CHEBI:64868) is conjugate base of hexacosanoyl-CoA (CHEBI:52966) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(hexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| hexacosanoyl-CoA (N-C26:0CoA) | ChEBI |
| hexacosanoyl-coenzyme A | ChEBI |
| C26:0-coenzyme A | ChEBI |
| C26:0-CoA | ChEBI |
| cerotoyl-CoA | ChEBI |
| cerotoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006459 | HMDB |
| CPD1G-277 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20717346 | Reaxys |
| Citations |
|---|