EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:74451 - (R)-3-hydroxylauroyl-CoA
| Formula | C33H58N7O18P3S |
| Net Charge | 0 |
| Average Mass | 965.847 |
| Monoisotopic Mass | 965.27719 |
| SMILES | CCCCCCCCC[C@@H](O)CC(=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/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/t21-,22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | IJFLXRCJWPKGKJ-IGYWURMESA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-3-hydroxylauroyl-CoA (CHEBI:74451) has functional parent (R)-3-hydroxylauric acid (CHEBI:43197) |
| (R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456) |
| (R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060) |
| (R)-3-hydroxylauroyl-CoA (CHEBI:74451) is a medium-chain fatty acyl-CoA (CHEBI:61907) |
| (R)-3-hydroxylauroyl-CoA (CHEBI:74451) is conjugate acid of (R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) |
| Incoming Relation(s) |
| (R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is conjugate base of (R)-3-hydroxylauroyl-CoA (CHEBI:74451) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-hydroxydodecanoyl-coenzyme A | ChEBI |
| (R)-3-hydroxydodecanoyl-CoA | ChEBI |
| (R)-3-hydroxylauroyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-14918 | MetaCyc |