CHEBI:84584 - 3-oxodotriacontanoyl-CoA

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ChEBI Name 3-oxodotriacontanoyl-CoA ChEBI ID CHEBI:84584 Definition A 3-oxo-fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxodotriacontanoic acid (3-oxolacceroic acid). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C53H96N7O18P3S Net Charge 0 Average Mass 1244.35200 Monoisotopic Mass 1243.57454 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)/t42-,46-,47-,48+,52-/m1/s1 InChIKey VVJMBDPTYGWBEY-YQUCNGBHSA-N 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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxodotriacontanoyl-CoA (CHEBI:84584) has functional parent dotriacontanoic acid (CHEBI:76215) 3-oxodotriacontanoyl-CoA (CHEBI:84584) has role human metabolite (CHEBI:77746) 3-oxodotriacontanoyl-CoA (CHEBI:84584) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) 3-oxodotriacontanoyl-CoA (CHEBI:84584) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) 3-oxodotriacontanoyl-CoA (CHEBI:84584) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017) 3-oxodotriacontanoyl-CoA (CHEBI:84584) is conjugate acid of 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) Incoming 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is conjugate base of 3-oxodotriacontanoyl-CoA (CHEBI:84584) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxodotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3-ketodotriacontanoyl-CoA ChEBI 3-ketodotriacontanoyl-coenzyme A ChEBI 3-ketolacceroyl-CoA ChEBI 3-ketolacceroyl-coenzyme A ChEBI 3-oxodotriacontanoyl-coenzyme A ChEBI 3-oxolacceroyl-CoA ChEBI 3-oxolacceroyl-coenzyme A ChEBI Last Modified 06 February 2019