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CHEBI:52329 - 3-oxotetracosanoyl-CoA
| Formula | C45H80N7O18P3S |
| Net Charge | 0 |
| Average Mass | 1132.155 |
| Monoisotopic Mass | 1131.44934 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=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/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t34-,38-,39-,40+,44-/m1/s1 |
| InChIKey | JJSJTIWFKNSCHC-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) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) has functional parent 3-oxotetracosanoic acid (CHEBI:52352) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) has role human metabolite (CHEBI:77746) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) is a very long-chain fatty acyl-CoA (CHEBI:61910) |
| 3-oxotetracosanoyl-CoA (CHEBI:52329) is conjugate acid of 3-oxotetracosanoyl-CoA(4−) (CHEBI:73977) |
| Incoming Relation(s) |
| 3-oxotetracosanoyl-CoA(4−) (CHEBI:73977) is conjugate base of 3-oxotetracosanoyl-CoA (CHEBI:52329) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-keto-C24-CoA | ChEBI |
| 3-oxotetracosanoyl-coenzyme A | ChEBI |
| 3-ketotetracosanoyl-CoA | ChEBI |
| 3-ketotetracosanoyl-coenzyme A | ChEBI |