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CHEBI:15538 - phytanoyl-CoA
| Formula | C41H74N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1062.064 |
| Monoisotopic Mass | 1061.40747 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)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/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t27?,28?,29?,30-,34-,35-,36+,40-/m1/s1 |
| InChIKey | NRJQGHHZMSOUEN-ZJGVPSKGSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phytanoyl-CoA (CHEBI:15538) has functional parent coenzyme A (CHEBI:15346) |
| phytanoyl-CoA (CHEBI:15538) has functional parent phytanic acid (CHEBI:16285) |
| phytanoyl-CoA (CHEBI:15538) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100) |
| phytanoyl-CoA (CHEBI:15538) is conjugate acid of phytanoyl-CoA(4−) (CHEBI:57391) |
| Incoming Relation(s) |
| 2-hydroxyphytanoyl-CoA (CHEBI:15475) has functional parent phytanoyl-CoA (CHEBI:15538) |
| phytanoyl-CoA(4−) (CHEBI:57391) is conjugate base of phytanoyl-CoA (CHEBI:15538) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} |
| Synonym | Source |
|---|---|
| Phytanoyl-CoA | KEGG COMPOUND |