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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. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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 |
|---|