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CHEBI:15539 - propionyl-CoA
| Formula | C24H40N7O17P3S |
| Net Charge | 0 |
| Average Mass | 823.605 |
| Monoisotopic Mass | 823.14142 |
| SMILES | CCC(=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/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 |
| InChIKey | QAQREVBBADEHPA-IEXPHMLFSA-N |
| Wikipedia |
|---|
| 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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| propionyl-CoA (CHEBI:15539) has functional parent coenzyme A (CHEBI:15346) |
| propionyl-CoA (CHEBI:15539) has functional parent propionic acid (CHEBI:30768) |
| propionyl-CoA (CHEBI:15539) has role Escherichia coli metabolite (CHEBI:76971) |
| propionyl-CoA (CHEBI:15539) has role metabolite (CHEBI:25212) |
| propionyl-CoA (CHEBI:15539) has role mouse metabolite (CHEBI:75771) |
| propionyl-CoA (CHEBI:15539) is a acyl-CoA (CHEBI:17984) |
| propionyl-CoA (CHEBI:15539) is conjugate acid of propionyl-CoA(4−) (CHEBI:57392) |
| Incoming Relation(s) |
| 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoyl-CoA (CHEBI:15482) has functional parent propionyl-CoA (CHEBI:15539) |
| 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA (CHEBI:17068) has functional parent propionyl-CoA (CHEBI:15539) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent propionyl-CoA (CHEBI:15539) |
| 3-substituted propionyl-CoA (CHEBI:65122) has functional parent propionyl-CoA (CHEBI:15539) |
| propionyl-CoA(4−) (CHEBI:57392) is conjugate base of propionyl-CoA (CHEBI:15539) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| S-propanoyl-CoA | ChEBI |
| S-propanoyl-coenzyme A | ChEBI |
| S-Propionyl-coenzym-A | ChEBI |
| S-Propionylcoenzyme A | ChemIDplus |
| Propanoyl-CoA | KEGG COMPOUND |
| propanoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 1VU | PDBeChem |
| 83731 | ChemSpider |
| C00100 | KEGG COMPOUND |
| c0363 | UM-BBD |
| DB02912 | DrugBank |
| FDB022529 | FooDB |
| HMDB0001275 | HMDB |
| Propionyl-CoA | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78167 | Reaxys |
| CAS:317-66-8 | ChemIDplus |
| CAS:317-66-8 | KEGG COMPOUND |
| Citations |
|---|