CHEBI:65115 - 3-oxoicosanoyl-CoA(4−)

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ChEBI Name 3-oxoicosanoyl-CoA(4−) ChEBI ID CHEBI:65115 ChEBI ASCII Name 3-oxoicosanoyl-CoA(4-) Definition A 3-oxoacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-oxoicosanoyl-CoA: major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter AnneNiknejad 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 C41H68N7O18P3S Net Charge -4 Average Mass 1072.00100 Monoisotopic Mass 1071.35763 InChI InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t30-,34-,35-,36+,40-/m1/s1 InChIKey FYBVHNZJDVUVLJ-IBYUJNRCSA-J SMILES CCCCCCCCCCCCCCCCCC(=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 ChEBI Ontology Outgoing 3-oxoicosanoyl-CoA(4−) (CHEBI:65115) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948) 3-oxoicosanoyl-CoA(4−) (CHEBI:65115) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347) 3-oxoicosanoyl-CoA(4−) (CHEBI:65115) is a long-chain 3-oxo-fatty acyl-CoA(4−) (CHEBI:136758) 3-oxoicosanoyl-CoA(4−) (CHEBI:65115) is conjugate base of 3-oxoicosanoyl-CoA (CHEBI:52327) Incoming 3-oxoicosanoyl-CoA (CHEBI:52327) is conjugate acid of 3-oxoicosanoyl-CoA(4−) (CHEBI:65115) Synonyms Sources 3-ketoicosanoyl-CoA(4−) ChEBI 3-ketoicosanoyl-coenzyme A(4−) ChEBI 3-oxoeicosanoyl-CoA UniProt 3-oxoicosanoyl-coenzyme A(4−) ChEBI C20 3-oxoacyl-CoA(4−) ChEBI Citation Type Source 17719544 PubMed citation SUBMITTER Last Modified 31 March 2015