EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:74278 - (R)-3-hydroxypalmitoyl-CoA(4−)
| Formula | C37H62N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1017.923 |
| Monoisotopic Mass | 1017.31068 |
| SMILES | CCCCCCCCCCCCC[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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25-,26-,30-,31-,32+,36-/m1/s1 |
| InChIKey | DEHLMTDDPWDRDR-ODUGITAYSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:74278) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319) |
| (R)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:74278) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| (R)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:74278) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102) |
| (R)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:74278) is conjugate base of (R)-3-hydroxypalmitoyl-CoA (CHEBI:74459) |
| Incoming Relation(s) |
| (R)-3-hydroxypalmitoyl-CoA (CHEBI:74459) is conjugate acid of (R)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:74278) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-hydroxyhexadecanoyl-CoA(4−) | SUBMITTER |
| (R)-3-hydroxyhexadecanoyl-coenzyme A(4−) | ChEBI |
| (R)-3-hydroxypalmitoyl-CoA | SUBMITTER |
| (R)-3-hydroxypalmitoyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (3R)-hydroxyhexadecanoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-14920 | MetaCyc |