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CHEBI:15351 - acetyl-CoA
| Formula | C23H38N7O17P3S |
| Net Charge | 0 |
| Average Mass | 809.578 |
| Monoisotopic Mass | 809.12577 |
| SMILES | 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/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 |
| InChIKey | ZSLZBFCDCINBPY-ZSJPKINUSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aeromonas veronii (ncbitaxon:654) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS1182) | |
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Roles: | acyl donor Any donor that can transfer acyl groups between molecular entities. acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | effector A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site). coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. fundamental metabolite Any metabolite produced by all living cells. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acetyl-CoA (CHEBI:15351) has functional parent acetic acid (CHEBI:15366) |
| acetyl-CoA (CHEBI:15351) has functional parent coenzyme A (CHEBI:15346) |
| acetyl-CoA (CHEBI:15351) has role acyl donor (CHEBI:62049) |
| acetyl-CoA (CHEBI:15351) has role coenzyme (CHEBI:23354) |
| acetyl-CoA (CHEBI:15351) has role effector (CHEBI:35224) |
| acetyl-CoA (CHEBI:15351) has role fundamental metabolite (CHEBI:78675) |
| acetyl-CoA (CHEBI:15351) is a acyl-CoA (CHEBI:17984) |
| acetyl-CoA (CHEBI:15351) is conjugate acid of acetyl-CoA(4−) (CHEBI:57288) |
| Incoming Relation(s) |
| acetyl-2'-(5''-phosphoribosyl)-3'-dephospho-CoA (CHEBI:65343) has functional parent acetyl-CoA (CHEBI:15351) |
| phenylacetyl-CoA (CHEBI:15537) has functional parent acetyl-CoA (CHEBI:15351) |
| acetyl-CoA(4−) (CHEBI:57288) is conjugate base of acetyl-CoA (CHEBI:15351) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| AcCoA | ChEBI |
| Acetyl-CoA | KEGG COMPOUND |
| Acetyl coenzyme A | KEGG COMPOUND |
| S-acetyl-CoA | ChEBI |
| S-acetyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Acetyl-CoA | Wikipedia |
| ACO | PDBeChem |
| C00007259 | KNApSAcK |
| C00024 | KEGG COMPOUND |
| c0031 | UM-BBD |
| ECMDB01206 | ECMDB |
| HMDB0001206 | HMDB |
| YMDB00312 | YMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78145 | Reaxys |
| CAS:72-89-9 | KEGG COMPOUND |
| CAS:72-89-9 | ChemIDplus |
| Citations |
|---|