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CHEBI:71430 - 3-oxoisopentadecanoyl-CoA(4−)
| Formula | C36H58N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1001.880 |
| Monoisotopic Mass | 1001.27938 |
| SMILES | CC(C)CCCCCCCCCC(=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/C36H62N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-23,25,29-31,35,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/p-4/t25-,29-,30-,31+,35-/m1/s1 |
| InChIKey | MAMJAMHAMPVLFR-VTINEICCSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is a (ω−1)-methyl-3-oxo-fatty acyl-CoA(4−) (CHEBI:183086) |
| 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758) |
| 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) is conjugate base of 3-oxoisopentadecanoyl-CoA (CHEBI:71439) |
| Incoming Relation(s) |
| 3-oxoisopentadecanoyl-CoA (CHEBI:71439) is conjugate acid of 3-oxoisopentadecanoyl-CoA(4−) (CHEBI:71430) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxotetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 3-oxoisopentadecanoyl-coenzyme A(4−) | ChEBI |
| 13-methyl-3-oxotetradecanoyl-CoA(4−) | ChEBI |
| 13-methyl-3-oxotetradecanoyl-coenzyme A(4−) | ChEBI |
| 13-methyl-3-oxomyristoyl-coenzyme A(4−) | ChEBI |
| 13-methyl-3-oxomyristoyl-CoA(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-oxoisopentadecanoyl-CoA | UniProt |