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CHEBI:747450 - trans-geranoyl-CoA
| Formula | C31H50N7O17P3S |
| Net Charge | 0 |
| Average Mass | 917.762 |
| Monoisotopic Mass | 917.21967 |
| SMILES | CC(C)=CCC/C(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/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26+,30-/m1/s1 |
| InChIKey | FWLPCGPDGSQPGT-WJGFBNMQSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-geranoyl-CoA (CHEBI:747450) has functional parent coenzyme A (CHEBI:15346) |
| trans-geranoyl-CoA (CHEBI:747450) has functional parent geranic acid (CHEBI:67264) |
| trans-geranoyl-CoA (CHEBI:747450) is a trans-2-enoyl-CoA (CHEBI:50998) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[((2E)-3,7-dimethylocta-2,5-dienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| E-geranoyl-CoA | ChEBI |
| geranoyl-CoA | ChEBI |
| trans-geranyl-CoA | ChEBI |
| trans-geranyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C16465 | KEGG COMPOUND |
| Citations |
|---|