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CHEBI:71445 - 3-oxoisoheptadecanoyl-CoA(4−)
| Formula | C38H62N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1029.934 |
| Monoisotopic Mass | 1029.31068 |
| SMILES | CC(C)CCCCCCCCCCCC(=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/C38H66N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-25,27,31-33,37,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t27-,31-,32-,33+,37-/m1/s1 |
| InChIKey | RNYKJLHCAKTRHT-DUPKZGIXSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxoisoheptadecanoyl-CoA(4−) (CHEBI:71445) is a (ω−1)-methyl-3-oxo-fatty acyl-CoA(4−) (CHEBI:183086) |
| 3-oxoisoheptadecanoyl-CoA(4−) (CHEBI:71445) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| 3-oxoisoheptadecanoyl-CoA(4−) (CHEBI:71445) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758) |
| 3-oxoisoheptadecanoyl-CoA(4−) (CHEBI:71445) is conjugate base of 3-oxoisoheptadecanoyl-CoA (CHEBI:71453) |
| Incoming Relation(s) |
| 3-oxoisoheptadecanoyl-CoA (CHEBI:71453) is conjugate acid of 3-oxoisoheptadecanoyl-CoA(4−) (CHEBI:71445) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| 15-methyl-3-oxohexadecanoyl-CoA(4−) | SUBMITTER |
| 15-methyl-3-oxopalmitoyl-CoA(4−) | SUBMITTER |
| 3-oxoisoheptadecanoyl-coenzyme A(4−) | ChEBI |
| 15-methyl-3-oxohexadecanoyl-coenzyme A(4−) | ChEBI |
| 15-methyl-3-oxopalmitoyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-oxoisoheptadecanoyl-CoA | UniProt |
| Citations |
|---|