EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:83795 - 3-oxodotriacontanoyl-CoA(4−)
| Formula | C53H92N7O18P3S |
| Net Charge | -4 |
| Average Mass | 1240.339 |
| Monoisotopic Mass | 1239.54543 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C53H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h39-40,42,46-48,52,64-65H,4-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/t42-,46-,47-,48+,52-/m1/s1 |
| InChIKey | VVJMBDPTYGWBEY-YQUCNGBHSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) |
| 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) |
| 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018) |
| 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is conjugate base of 3-oxodotriacontanoyl-CoA (CHEBI:84584) |
| Incoming Relation(s) |
| dotriacontanoate (CHEBI:76024) has functional parent 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) |
| 3-oxodotriacontanoyl-CoA (CHEBI:84584) is conjugate acid of 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) |
| Synonyms | Source |
|---|---|
| 3-ketodotriacontanoyl-CoA(4−) | SUBMITTER |
| 3-oxo-C32:0-CoA(4−) | SUBMITTER |
| 3-ketolacceroyl-CoA(4−) | ChEBI |
| 3-ketodotriacontanoyl-coenzyme A(4−) | ChEBI |
| 3-oxolacceroyl-CoA(4−) | ChEBI |
| 3-oxolacceroyl-coenzyme A(4−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-oxo-dotriacontanoyl-CoA | UniProt |