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CHEBI:75064 - trans-2-docosenoyl-CoA
| Formula | C43H76N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1088.102 |
| Monoisotopic Mass | 1087.42312 |
| SMILES | CCCCCCCCCCCCCCCCCCC/C=C/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/C43H76N7O17P3S/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/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b23-22+/t32-,36-,37-,38+,42-/m1/s1 |
| InChIKey | KRTIFNFQCJTGMV-DYAVHEMFSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-2-docosenoyl-CoA (CHEBI:75064) is a trans-2-enoyl-CoA (CHEBI:50998) |
| trans-2-docosenoyl-CoA (CHEBI:75064) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) |
| trans-2-docosenoyl-CoA (CHEBI:75064) is a long-chain fatty acyl-CoA (CHEBI:33184) |
| trans-2-docosenoyl-CoA (CHEBI:75064) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| trans-2-docosenoyl-CoA (CHEBI:75064) is conjugate acid of trans-2-docosenoyl-CoA(4−) (CHEBI:74692) |
| Incoming Relation(s) |
| trans-2-docosenoyl-CoA(4−) (CHEBI:74692) is conjugate base of trans-2-docosenoyl-CoA (CHEBI:75064) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-docos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (E)-2-docosenoyl-CoA | ChEBI |
| (E)-2-docosenoyl-coenzyme A | ChEBI |
| trans-2-docosenoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-14281 | MetaCyc |