CHEBI:88166 - (S)-2-methylbutanoyl-CoA(4−)

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ChEBI Name (S)-2-methylbutanoyl-CoA(4−) ChEBI ID CHEBI:88166 ChEBI ASCII Name (S)-2-methylbutanoyl-CoA(4-) Definition A 2-methylbutanoyl-CoA(4−) obtained by deprotonation of phosphate and diphosphate functions of (S)-2-methylbutanoyl-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 C26H40N7O17P3S Net Charge -4 Average Mass 847.621 Monoisotopic Mass 847.14362 InChI InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,15+,18+,19+,20-,24+/m0/s1 InChIKey LYNVNYDEQMMNMZ-JRQZLUQRSA-J SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC([C@H](CC)C)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 2-methylbutanoyl-CoA(4-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166) is a 2-methylbutanoyl-CoA(4−) (CHEBI:57336) (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166) is conjugate base of (S)-2-methylbutanoyl-CoA (CHEBI:90222) Incoming (S)-2-methylbutanoyl-CoA (CHEBI:90222) is conjugate acid of (S)-2-methylbutanoyl-CoA(4−) (CHEBI:88166) Synonyms Sources (2S)-2-methylbutanoyl-CoA UniProt (S)-2-methylbutanoyl-coenzyme A(4−) ChEBI (S)-2-methylbutyryl-CoA(4−) ChEBI (S)-2-methylbutyryl-coenzyme A(4−) ChEBI Citation Type Source 6874697 PubMed citation SUBMITTER Last Modified 06 June 2019