EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:139375 - (R)-2-hydroxyhexadecanoyl-CoA
| Formula | C37H66N7O18P3S |
| Net Charge | 0 |
| Average Mass | 1021.955 |
| Monoisotopic Mass | 1021.33979 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(45)36(50)66-20-19-39-27(46)17-18-40-34(49)31(48)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-30(61-63(51,52)53)29(47)35(60-26)44-24-43-28-32(38)41-23-42-33(28)44/h23-26,29-31,35,45,47-48H,4-22H2,1-3H3,(H,39,46)(H,40,49)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26-,29-,30-,31+,35-/m1/s1 |
| InChIKey | KCYAHSOGWAZYJF-UEMWZVKSSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) has functional parent (R)-2-hydroxyhexadecanoic acid (CHEBI:75972) |
| (R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) is a 2-hydroxyhexadecanoyl-CoA (CHEBI:74137) |
| (R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) is conjugate acid of (R)-2-hydroxyhexadecanoyl-CoA(4−) (CHEBI:138654) |
| Incoming Relation(s) |
| (R)-2-hydroxyhexadecanoyl-CoA(4−) (CHEBI:138654) is conjugate base of (R)-2-hydroxyhexadecanoyl-CoA (CHEBI:139375) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-2-hydroxypalmitoyl-coenzyme A | ChEBI |
| (R)-2-hydroxyhexadecanoyl-coenzyme A | ChEBI |
| (R)-2-hydroxypalmitoyl-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-14718 | MetaCyc |
| Citations |
|---|