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CHEBI:28726 - 3-oxotetradecanoyl-CoA
| Formula | C35H60N7O18P3S |
| Net Charge | 0 |
| Average Mass | 991.885 |
| Monoisotopic Mass | 991.29284 |
| SMILES | CCCCCCCCCCCC(=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/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t24-,28-,29-,30+,34-/m1/s1 |
| InChIKey | IQNFBGHLIVBNOU-QSGBVPJFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| 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: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has functional parent 3-oxotetradecanoic acid (CHEBI:37270) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has functional parent myristoyl-CoA (CHEBI:15532) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has role Escherichia coli metabolite (CHEBI:76971) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has role human metabolite (CHEBI:77746) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) has role mouse metabolite (CHEBI:75771) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) |
| 3-oxotetradecanoyl-CoA (CHEBI:28726) is conjugate acid of 3-oxotetradecanoyl-CoA(4−) (CHEBI:62543) |
| Incoming Relation(s) |
| 3-oxotetradecanoyl-CoA(4−) (CHEBI:62543) is conjugate base of 3-oxotetradecanoyl-CoA (CHEBI:28726) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-oxomyristoyl-CoA | ChEBI |
| 3-Oxotetradecanoyl-CoA | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C05261 | KEGG COMPOUND |