CHEBI:131445 - 4-methylpentanoyl-CoA(4−)

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ChEBI Name 4-methylpentanoyl-CoA(4−) ChEBI ID CHEBI:131445 ChEBI ASCII Name 4-methylpentanoyl-CoA(4-) Definition A methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 4-methylpentanoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C27H42N7O17P3S Net Charge -4 Average Mass 861.648 Monoisotopic Mass 861.15927 InChI InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1 InChIKey GESPQCUXDWNNGU-HDRQGHTBSA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CCC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 4-methylpentanoyl-CoA(4−) (CHEBI:131445) has role bacterial metabolite (CHEBI:76969) 4-methylpentanoyl-CoA(4−) (CHEBI:131445) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508) 4-methylpentanoyl-CoA(4−) (CHEBI:131445) is conjugate base of 4-methylpentanoyl-CoA (CHEBI:131951) Incoming 4-methylpentanoyl-CoA (CHEBI:131951) is conjugate acid of 4-methylpentanoyl-CoA(4−) (CHEBI:131445) Synonyms Sources 4-methylpentanoyl-CoA UniProt isocaproyl-CoA SUBMITTER Manual Xref Database CPD-17494 MetaCyc View more database links Citation Type Source 16957230 PubMed citation SUBMITTER Last Modified 08 November 2021