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CHEBI:27979 - all-cis-icosa-8,11,14-trienoyl-CoA
| Formula | C41H68N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1056.016 |
| Monoisotopic Mass | 1055.36052 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=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/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1 |
| InChIKey | FJWJALRUNNZIBB-DDQUOPDJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486) |
| all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) has role human metabolite (CHEBI:77746) |
| all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is a long-chain fatty acyl-CoA (CHEBI:33184) |
| all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is a unsaturated fatty acyl-CoA (CHEBI:51006) |
| all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) is conjugate acid of (8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:74264) |
| Incoming Relation(s) |
| (8Z,11Z,14Z)-icosatrienoyl-CoA(4−) (CHEBI:74264) is conjugate base of all-cis-icosa-8,11,14-trienoyl-CoA (CHEBI:27979) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 8,11,14-Eicosatrienoyl-CoA | KEGG COMPOUND |
| 8,11,14-Icosatrienoyl-CoA | KEGG COMPOUND |
| (8Z,11Z,14Z)-Icosatrienoyl-CoA | KEGG COMPOUND |
| all-cis-icosa-8,11,14-trienoyl-CoA | ChEBI |
| all-cis-eicosa-8,11,14-trienoyl-coenzyme A | ChEBI |
| (8Z,11Z,14Z)-eicosatrienoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C03595 | KEGG COMPOUND |
| LMFA07050011 | LIPID MAPS |
| HMDB0003947 | HMDB |
| Citations |
|---|