EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:51985 - α-linolenoyl-CoA
| Formula | C39H64N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1027.962 |
| Monoisotopic Mass | 1027.32922 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1 |
| InChIKey | OMKFKBGZHNJNEX-PQBHNYBOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-linolenoyl-CoA (CHEBI:51985) has functional parent α-linolenic acid (CHEBI:27432) |
| α-linolenoyl-CoA (CHEBI:51985) has role human metabolite (CHEBI:77746) |
| α-linolenoyl-CoA (CHEBI:51985) has role mouse metabolite (CHEBI:75771) |
| α-linolenoyl-CoA (CHEBI:51985) is a octadecatrienoyl-CoA (CHEBI:139576) |
| α-linolenoyl-CoA (CHEBI:51985) is a α-linolenoyl bioconjugate (CHEBI:76184) |
| α-linolenoyl-CoA (CHEBI:51985) is conjugate acid of α-linolenoyl-CoA(4−) (CHEBI:74034) |
| Incoming Relation(s) |
| α-linolenoyl-CoA(4−) (CHEBI:74034) is conjugate base of α-linolenoyl-CoA (CHEBI:51985) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z,15Z)-octadeca-6,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (9Z,12Z,15Z)-9,12,15-octadecatrienoyl-CoA | ChEBI |
| (9Z,12Z,15Z)-9,12,15-octadecatrienoyl-coenzyme A | ChEBI |
| (9Z,12Z,15Z)-Octadecatrienoyl-CoA | KEGG COMPOUND |
| alpha-Linolenoyl-CoA | KEGG COMPOUND |
| all-cis-9,12,15-octadecatrienoyl-CoA | ChEBI |
| all-cis-9,12,15-octadecatrienoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C16162 | KEGG COMPOUND |
| HMDB0006290 | HMDB |
| Citations |
|---|