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CHEBI:28493 - decanoyl-CoA
| Formula | C31H54N7O17P3S |
| Net Charge | 0 |
| Average Mass | 921.794 |
| Monoisotopic Mass | 921.25097 |
| SMILES | CCCCCCCCCC(=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/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1 |
| InChIKey | CNKJPHSEFDPYDB-HSJNEKGZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| decanoyl-CoA (CHEBI:28493) has functional parent coenzyme A (CHEBI:15346) |
| decanoyl-CoA (CHEBI:28493) has functional parent decanoic acid (CHEBI:30813) |
| decanoyl-CoA (CHEBI:28493) has role Escherichia coli metabolite (CHEBI:76971) |
| decanoyl-CoA (CHEBI:28493) has role mouse metabolite (CHEBI:75771) |
| decanoyl-CoA (CHEBI:28493) is a medium-chain fatty acyl-CoA (CHEBI:61907) |
| decanoyl-CoA (CHEBI:28493) is a saturated fatty acyl-CoA (CHEBI:231546) |
| decanoyl-CoA (CHEBI:28493) is conjugate acid of decanoyl-CoA(4−) (CHEBI:61430) |
| Incoming Relation(s) |
| 3-oxodecanoyl-CoA (CHEBI:28528) has functional parent decanoyl-CoA (CHEBI:28493) |
| decanoyl-CoA(4−) (CHEBI:61430) is conjugate base of decanoyl-CoA (CHEBI:28493) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| 10:0-CoA | ChEBI |
| C10:0-CoA | ChEBI |
| capryl-CoA | ChEBI |
| capryl-coenzyme A | ChEBI |
| Coenzyme A, S-decanoate | ChemIDplus |
| Decanoyl-CoA | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C05274 | KEGG COMPOUND |
| HMDB0006404 | HMDB |
| LMFA07050022 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8033370 | Reaxys |
| CAS:1264-57-9 | ChemIDplus |
| Citations |
|---|