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CHEBI:71481 - (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4−)
| Formula | C41H62N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1065.967 |
| Monoisotopic Mass | 1065.31068 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=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/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,14-15,27-28,30,34-36,40,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1 |
| InChIKey | DJFXNRBQUUFIOS-DDQUOPDJSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4−) (CHEBI:71481) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) |
| (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4−) (CHEBI:71481) is conjugate base of (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA (CHEBI:71539) |
| Incoming Relation(s) |
| (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA (CHEBI:71539) is conjugate acid of (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA(4−) (CHEBI:71481) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-coenzyme A(4−) | ChEBI |
| (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-coenzyme A(4−) | ChEBI |
| (8Z,11Z,14Z)-3-oxoeicosa-8,11,14-trienoyl-CoA(4−) | ChEBI |
| 3-oxodihomo γ-linolenoyl-CoA(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-oxo-(8Z,11Z,14Z)-eicosatrienoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-14404 | MetaCyc |