CHEBI:90156 - 2-methylhexanoyl-CoA(4−)

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ChEBI Name 2-methylhexanoyl-CoA(4−) ChEBI ID CHEBI:90156 ChEBI ASCII Name 2-methylhexanoyl-CoA(4-) Definition A methyl-branched fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of 2-methylhexanoyl-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 C28H44N7O17P3S Net Charge -4 Average Mass 875.674 Monoisotopic Mass 875.17492 InChI InChI=1S/C28H48N7O17P3S/c1-5-6-7-16(2)27(40)56-11-10-30-18(36)8-9-31-25(39)22(38)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h14-17,20-22,26,37-38H,5-13H2,1-4H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t16?,17-,20-,21-,22+,26-/m1/s1 InChIKey QZBBWKARTWOCMU-CRVKRRNDSA-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(C(CCCC)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing 2-methylhexanoyl-CoA(4−) (CHEBI:90156) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508) 2-methylhexanoyl-CoA(4−) (CHEBI:90156) is conjugate base of 2-methylhexanoyl-CoA (CHEBI:90224) Incoming 2-methylhexanoyl-CoA (CHEBI:90224) is conjugate acid of 2-methylhexanoyl-CoA(4−) (CHEBI:90156) Synonyms Sources 2-methylcaproyl-CoA(4−) SUBMITTER 2-methylcaproyl-coenzyme A(4−) ChEBI 2-methylhexanoyl-CoA UniProt 2-methylhexanoyl-coenzyme A(4−) ChEBI Citation Type Source 7698750 PubMed citation SUBMITTER Last Modified 08 November 2021