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CHEBI:15504 - pimeloyl-CoA
| Formula | C28H46N7O19P3S |
| Net Charge | 0 |
| Average Mass | 909.695 |
| Monoisotopic Mass | 909.17820 |
| 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)CCCCCC(=O)O |
| InChI | InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1 |
| InChIKey | LYCRXMTYUZDUGA-UYRKPTJQSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | 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) |
| pimeloyl-CoA (CHEBI:15504) has functional parent coenzyme A (CHEBI:15346) |
| pimeloyl-CoA (CHEBI:15504) has functional parent pimelic acid (CHEBI:30531) |
| pimeloyl-CoA (CHEBI:15504) has role metabolite (CHEBI:25212) |
| pimeloyl-CoA (CHEBI:15504) is a ω-carboxyacyl-CoA (CHEBI:37555) |
| pimeloyl-CoA (CHEBI:15504) is conjugate acid of pimeloyl-CoA(5−) (CHEBI:57360) |
| Incoming Relation(s) |
| 2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent pimeloyl-CoA (CHEBI:15504) |
| 3-hydroxypimeloyl-CoA (CHEBI:15485) has functional parent pimeloyl-CoA (CHEBI:15504) |
| 3-oxopimeloyl-CoA (CHEBI:15492) has functional parent pimeloyl-CoA (CHEBI:15504) |
| pimeloyl-CoA(5−) (CHEBI:57360) is conjugate base of pimeloyl-CoA (CHEBI:15504) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 6-Carboxyhexanoyl-CoA | KEGG COMPOUND |
| Pimeloyl-CoA | KEGG COMPOUND |
| Pimeloyl-coenzyme A | ChemIDplus |
| Pimelyl-CoA | UM-BBD |
| Pimeloyl-coa | ChemIDplus |
| Coenzyme A, S-(hydrogen heptanedioate) | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11263685 | Reaxys |
| CAS:18907-20-5 | ChemIDplus |
| Citations |
|---|