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CHEBI:27721 - trans-tetradec-2-enoyl-CoA
| Formula | C35H60N7O17P3S |
| Net Charge | 0 |
| Average Mass | 975.886 |
| Monoisotopic Mass | 975.29792 |
| SMILES | CCCCCCCCCCC/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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1 |
| InChIKey | MBCVYCOKMMMWLX-YYMFEJJQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| 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). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) has functional parent trans-2-tetradecenoic acid (CHEBI:37271) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) has functional parent coenzyme A (CHEBI:15346) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) has role Escherichia coli metabolite (CHEBI:76971) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) has role mouse metabolite (CHEBI:75771) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) is a tetradecenoyl-CoA (CHEBI:26900) |
| trans-tetradec-2-enoyl-CoA (CHEBI:27721) is conjugate acid of trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) |
| Incoming Relation(s) |
| trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) is conjugate base of trans-tetradec-2-enoyl-CoA (CHEBI:27721) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-tetradec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| trans-Tetradec-2-enoyl-CoA | KEGG COMPOUND |
| trans-tetradec-2-enoyl-coenzyme A | ChEBI |
| (2E)-Tetradecenoyl-CoA | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C05273 | KEGG COMPOUND |