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CHEBI:65088 - docosanoyl-CoA
| Formula | C43H78N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1090.118 |
| Monoisotopic Mass | 1089.43877 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=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/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/t32-,36-,37-,38+,42-/m1/s1 |
| InChIKey | NDDZLVOCGALPLR-GNSUAQHMSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| docosanoyl-CoA (CHEBI:65088) has functional parent docosanoic acid (CHEBI:28941) |
| docosanoyl-CoA (CHEBI:65088) is a saturated fatty acyl-CoA (CHEBI:231546) |
| docosanoyl-CoA (CHEBI:65088) is a very long-chain fatty acyl-CoA (CHEBI:61910) |
| docosanoyl-CoA (CHEBI:65088) is conjugate acid of docosanoyl-CoA(4−) (CHEBI:65059) |
| Incoming Relation(s) |
| docosanoyl-CoA(4−) (CHEBI:65059) is conjugate base of docosanoyl-CoA (CHEBI:65088) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(docosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| behenoyl-CoA | KEGG COMPOUND |
| behenoyl-coenzyme A | ChEBI |
| behenyl CoA | MetaCyc |
| Behenyl-coenzyme A | ChemIDplus |
| docosanoyl-coenzyme A | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21148613 | Reaxys |
| CAS:24330-89-0 | ChemIDplus |
| Citations |
|---|