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CHEBI:84904 - (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−)
| Formula | C39H62N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1041.945 |
| Monoisotopic Mass | 1041.31068 |
| 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)CCCCCCC/C=C\C/C=C\CCCCCO |
| InChI | InChI=1S/C39H66N7O18P3S/c1-39(2,34(51)37(52)42-20-19-29(48)41-21-23-68-30(49)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-47)25-61-67(58,59)64-66(56,57)60-24-28-33(63-65(53,54)55)32(50)38(62-28)46-27-45-31-35(40)43-26-44-36(31)46/h3-4,7,9,26-28,32-34,38,47,50-51H,5-6,8,10-25H2,1-2H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b4-3-,9-7-/t28-,32-,33-,34+,38-/m1/s1 |
| InChIKey | HJEGYLSHIKPENR-DAXVLCLXSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−) (CHEBI:84904) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139) |
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−) (CHEBI:84904) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330) |
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−) (CHEBI:84904) is a ω-hydroxy fatty acyl-CoA(4−) (CHEBI:84204) |
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−) (CHEBI:84904) is conjugate base of (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA (CHEBI:85508) |
| Incoming Relation(s) |
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA (CHEBI:85508) is conjugate acid of (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4−) (CHEBI:84904) |
| Synonym | Source |
|---|---|
| (9Z,12Z)-18-hydroxyoctadecadienoyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-17371 | MetaCyc |
| Citations |
|---|