CHEBI:74355 - 3-oxotriacontanoyl-CoA

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ChEBI Name 3-oxotriacontanoyl-CoA ChEBI ID CHEBI:74355 Definition A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxotriacontanoic acid (3-oxomelissic 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 C51H92N7O18P3S Net Charge 0 Average Mass 1216.29900 Monoisotopic Mass 1215.54324 InChI InChI=1S/C51H92N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h37-38,40,44-46,50,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/t40-,44-,45-,46+,50-/m1/s1 InChIKey ZNUFFDLELVUGGI-XFQHPCEUSA-N SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxotriacontanoyl-CoA (CHEBI:74355) has functional parent triacontanoic acid (CHEBI:31003) 3-oxotriacontanoyl-CoA (CHEBI:74355) is a 3-oxo-fatty acyl-CoA (CHEBI:15489) 3-oxotriacontanoyl-CoA (CHEBI:74355) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017) 3-oxotriacontanoyl-CoA (CHEBI:74355) is conjugate acid of 3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) Incoming 3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is conjugate base of 3-oxotriacontanoyl-CoA (CHEBI:74355) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} Synonyms Sources 3-ketomelissoyl-CoA ChEBI 3-ketomelissoyl-coenzyme A ChEBI 3-ketotriacontanoyl-CoA ChEBI 3-ketotriacontanoyl-coenzyme A ChEBI 3-oxomelissoyl-CoA ChEBI 3-oxomelissoyl-coenzyme A ChEBI 3-oxotriacontanoyl-coenzyme A ChEBI Last Modified 06 February 2019