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CHEBI:52974 - tetracosanoyl-CoA
| Formula | C45H82N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1118.172 |
| Monoisotopic Mass | 1117.47008 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=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/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/t34-,38-,39-,40+,44-/m1/s1 |
| InChIKey | MOYMQYZWIUKGGY-JBKAVQFISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| 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 Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tetracosanoyl-CoA (CHEBI:52974) has functional parent coenzyme A (CHEBI:15346) |
| tetracosanoyl-CoA (CHEBI:52974) has functional parent tetracosanoic acid (CHEBI:28866) |
| tetracosanoyl-CoA (CHEBI:52974) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| tetracosanoyl-CoA (CHEBI:52974) has role human metabolite (CHEBI:77746) |
| tetracosanoyl-CoA (CHEBI:52974) is a saturated fatty acyl-CoA (CHEBI:231546) |
| tetracosanoyl-CoA (CHEBI:52974) is a very long-chain fatty acyl-CoA (CHEBI:61910) |
| tetracosanoyl-CoA (CHEBI:52974) is conjugate acid of tetracosanoyl-CoA(4−) (CHEBI:65052) |
| Incoming Relation(s) |
| tetracosanoyl-CoA(4−) (CHEBI:65052) is conjugate base of tetracosanoyl-CoA (CHEBI:52974) |
| IUPAC Names |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(tetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} |
| S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] tetracosanethioate |
| Synonyms | Source |
|---|---|
| tetracosanoyl-coenzyme A | ChEBI |
| Lignoceroyl-coenzyme A | ChemIDplus |
| Lignoceroyl-coa | ChemIDplus |
| Tetracosanoyl-CoA | KEGG COMPOUND |
| Lignoceroyl-CoA | KEGG COMPOUND |
| C24:0-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C16529 | KEGG COMPOUND |
| HMDB0006526 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:24305-30-4 | ChemIDplus |
| Citations |
|---|