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CHEBI:52043 - 7-methyl-3-oxooct-6-enoyl-CoA
| Formula | C30H48N7O18P3S |
| Net Charge | 0 |
| Average Mass | 919.734 |
| Monoisotopic Mass | 919.19894 |
| SMILES | CC(C)=CCCC(=O)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/C30H48N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h6,15-16,19,23-25,29,41-42H,5,7-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1 |
| InChIKey | LPMIXVANMSEERY-FUEUKBNZSA-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) |
| 7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) has functional parent 7-methyl-3-oxooctanoic acid (CHEBI:37107) |
| 7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) has role mouse metabolite (CHEBI:75771) |
| 7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) |
| 7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) is conjugate acid of 7-methyl-3-oxooct-6-enoyl-CoA(4−) (CHEBI:71410) |
| Incoming Relation(s) |
| 7-methyl-3-oxooct-6-enoyl-CoA(4−) (CHEBI:71410) is conjugate base of 7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} |
| Synonym | Source |
|---|---|
| 7-Methyl-3-oxo-6-octenoyl-CoA | KEGG COMPOUND |