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CHEBI:28706 - trans-hex-2-enoyl-CoA
| Formula | C27H44N7O17P3S |
| Net Charge | 0 |
| Average Mass | 863.670 |
| Monoisotopic Mass | 863.17272 |
| SMILES | CCC/C=C/C(=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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,20-,21-,22+,26-/m1/s1 |
| InChIKey | OINXHIBNZUUIMR-IXUYQXAASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| 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: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. 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) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) has functional parent coenzyme A (CHEBI:15346) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) has role Escherichia coli metabolite (CHEBI:76971) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) has role human metabolite (CHEBI:77746) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) has role mouse metabolite (CHEBI:75771) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) is a trans-2-enoyl-CoA (CHEBI:50998) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) is a medium-chain fatty acyl-CoA (CHEBI:61907) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| trans-hex-2-enoyl-CoA (CHEBI:28706) is conjugate acid of trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) |
| Incoming Relation(s) |
| trans-hex-2-enoyl-CoA(4−) (CHEBI:62077) is conjugate base of trans-hex-2-enoyl-CoA (CHEBI:28706) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hex-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (2E)-Hexenoyl-CoA | KEGG COMPOUND |
| 2E-hexenoyl-CoA | LIPID MAPS |
| (2E)-hexenoyl-coenzyme A | ChEBI |
| 2E-hexenoyl-coenzyme A | ChEBI |
| trans-2,3-dehydrohexanoyl-CoA | ChEBI |
| trans-2,3-dehydrohexanoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C05271 | KEGG COMPOUND |
| HMDB0003944 | HMDB |
| LMFA07050019 | LIPID MAPS |