EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:76454 - (R)-3-hydroxystearoyl-CoA
| Formula | C39H70N7O18P3S |
| Net Charge | 0 |
| Average Mass | 1050.009 |
| Monoisotopic Mass | 1049.37109 |
| SMILES | CCCCCCCCCCCCCCC[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/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/t27-,28-,32-,33-,34+,38-/m1/s1 |
| InChIKey | WZMAIEGYXCOYSH-MKPUJKMASA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-3-hydroxystearoyl-CoA (CHEBI:76454) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456) |
| (R)-3-hydroxystearoyl-CoA (CHEBI:76454) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) |
| (R)-3-hydroxystearoyl-CoA (CHEBI:76454) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060) |
| (R)-3-hydroxystearoyl-CoA (CHEBI:76454) is a long-chain fatty acyl-CoA (CHEBI:33184) |
| (R)-3-hydroxystearoyl-CoA (CHEBI:76454) is conjugate acid of (R)-3-hydroxystearoyl-CoA(4−) (CHEBI:76374) |
| Incoming Relation(s) |
| (R)-3-hydroxystearoyl-CoA(4−) (CHEBI:76374) is conjugate base of (R)-3-hydroxystearoyl-CoA (CHEBI:76454) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-hydroxyoctadecanoyl-CoA | ChEBI |
| (R)-3-hydroxystearoyl-coenzyme A | ChEBI |
| (R)-3-hydroxyoctadecanoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-10261 | MetaCyc |