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CHEBI:76375 - (R)-3-hydroxydocosanoyl-CoA(4−)
| Formula | C43H74N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1102.085 |
| Monoisotopic Mass | 1101.40458 |
| SMILES | CCCCCCCCCCCCCCCCCCC[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/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31-,32-,36-,37-,38+,42-/m1/s1 |
| InChIKey | VNJQSRVXTRJVAZ-ZUIQSSPPSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319) |
| (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is a 3-hydroxydocosanoyl-CoA(4−) (CHEBI:71456) |
| (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is conjugate base of (R)-3-hydroxybehenoyl-CoA (CHEBI:76459) |
| Incoming Relation(s) |
| (R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is conjugate acid of (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) |
| IUPAC Name |
|---|
| 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-3-hydroxydocosanoyl-CoA(4−) | SUBMITTER |
| (R)-3-OH-C22:0-CoA(4−) | SUBMITTER |
| (R)-3-hydroxybehenoyl-coenzyme A(4−) | ChEBI |
| (R)-3-hydroxydocosanoyl-coenzyme A(4−) | ChEBI |
| (R)-3-hydroxybehenoyl-CoA(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| (3R)-hydroxydocosanoyl-CoA | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-14276 | MetaCyc |