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CHEBI:15531 - malonyl-CoA
| Formula | C24H38N7O19P3S |
| Net Charge | 0 |
| Average Mass | 853.587 |
| Monoisotopic Mass | 853.11560 |
| SMILES | CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O |
| InChI | InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1 |
| InChIKey | LTYOQGRJFJAKNA-DVVLENMVSA-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: | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of mitochondrial carnitine O-palmitoyltransferase (EC 2.3.1.21). metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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) |
| malonyl-CoA (CHEBI:15531) has functional parent coenzyme A (CHEBI:15346) |
| malonyl-CoA (CHEBI:15531) has role Escherichia coli metabolite (CHEBI:76971) |
| malonyl-CoA (CHEBI:15531) has role EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor (CHEBI:63158) |
| malonyl-CoA (CHEBI:15531) has role metabolite (CHEBI:25212) |
| malonyl-CoA (CHEBI:15531) has role mouse metabolite (CHEBI:75771) |
| malonyl-CoA (CHEBI:15531) is a malonyl-CoAs (CHEBI:25136) |
| malonyl-CoA (CHEBI:15531) is conjugate acid of malonyl-CoA(5−) (CHEBI:57384) |
| Incoming Relation(s) |
| malonyl-CoA(5−) (CHEBI:57384) is conjugate base of malonyl-CoA (CHEBI:15531) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| Coenzyme A, S-(hydrogen propanedioate) | ChemIDplus |
| Malonyl-CoA | KEGG COMPOUND |
| Malonyl coenzyme A | KEGG COMPOUND |
| S-(Hydrogen malonyl)coenzyme A | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C00007260 | KNApSAcK |
| C00083 | KEGG COMPOUND |
| DB04524 | DrugBank |
| LMFA07050031 | LIPID MAPS |
| Malonyl-CoA | Wikipedia |
| MALONYL-COA | MetaCyc |
| MLC | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78309 | Reaxys |
| CAS:524-14-1 | KEGG COMPOUND |
| CAS:524-14-1 | ChemIDplus |
| Citations |
|---|