CHEBI:77275 - (2R)-pristanoyl-CoA(4−)

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ChEBI Name (2R)-pristanoyl-CoA(4−) ChEBI ID CHEBI:77275 ChEBI ASCII Name (2R)-pristanoyl-CoA(4-) Definition A multi-methyl-branched fatty acyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate functions of (2R)-pristanoyl-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 C40H68N7O17P3S Net Charge -4 Average Mass 1043.99300 Monoisotopic Mass 1043.36272 InChI InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28-,29-,32-,33-,34+,38-/m1/s1 InChIKey XYJPSQPVCBNZHT-RNTOLYROSA-J SMILES CC(C)CCCC(C)CCCC(C)CCC[C@@H](C)C(=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 (2R)-pristanoyl-CoA(4−) (CHEBI:77275) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458) (2R)-pristanoyl-CoA(4−) (CHEBI:77275) is conjugate base of (2R)-pristanoyl-CoA (CHEBI:77550) Incoming (2R)-pristanoyl-CoA (CHEBI:77550) is conjugate acid of (2R)-pristanoyl-CoA(4−) (CHEBI:77275) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2R)-2,6,10,14-tetramethylpentadecanoylsulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} Synonyms Sources (2R)-pristanoyl-CoA UniProt (2R)-pristanoyl-coenzyme A(4−) ChEBI Citation Type Source 8020470 PubMed citation SUBMITTER Last Modified 28 February 2014