EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:15495 - 4,8,12-trimethyltridecanoyl-CoA
| Formula | C37H66N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1005.956 |
| Monoisotopic Mass | 1005.34487 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCC(=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/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t24?,25?,26-,30-,31-,32+,36-/m1/s1 |
| InChIKey | ZYUOZFCHODHLHG-LEJRVOBCSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) has functional parent coenzyme A (CHEBI:15346) |
| 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) |
| 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a long-chain fatty acyl-CoA (CHEBI:33184) |
| 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100) |
| 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) is conjugate acid of 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) |
| Incoming Relation(s) |
| 4,8,12-trimethyltridecanoyl-CoA(4−) (CHEBI:57351) is conjugate base of 4,8,12-trimethyltridecanoyl-CoA (CHEBI:15495) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 4,8,12-Trimethyltridecanoyl-CoA | KEGG COMPOUND |
| 4,8,12-trimethyltridecylyl-coenzyme A | ChEBI |
| 4,8,12-TMTD-CoA | ChEBI |
| 4,8,12-trimethyltridecanoyl-coenzyme A | ChEBI |
| 4,8,12-trimethyltridecylyl-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C07296 | KEGG COMPOUND |