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CHEBI:15492 - 3-oxopimeloyl-CoA
| Formula | C28H44N7O20P3S |
| Net Charge | 0 |
| Average Mass | 923.678 |
| Monoisotopic Mass | 923.15747 |
| 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)CCCC(=O)O |
| InChI | InChI=1S/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-14,16,21-23,27,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/t16-,21-,22-,23+,27-/m1/s1 |
| InChIKey | KJXFOFKTZDJLMQ-UYRKPTJQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxopimeloyl-CoA (CHEBI:15492) has functional parent 3-oxopimelic acid (CHEBI:37259) |
| 3-oxopimeloyl-CoA (CHEBI:15492) has functional parent pimeloyl-CoA (CHEBI:15504) |
| 3-oxopimeloyl-CoA (CHEBI:15492) has role mouse metabolite (CHEBI:75771) |
| 3-oxopimeloyl-CoA (CHEBI:15492) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) |
| 3-oxopimeloyl-CoA (CHEBI:15492) is conjugate acid of 3-oxopimeloyl-CoA(5−) (CHEBI:57350) |
| Incoming Relation(s) |
| 3-oxopimeloyl-CoA(5−) (CHEBI:57350) is conjugate base of 3-oxopimeloyl-CoA (CHEBI:15492) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-Oxopimeloyl-CoA | KEGG COMPOUND |
| 3-Ketopimelyl-CoA | KEGG COMPOUND |