CHEBI:136712 - pivaloyl-CoA(4−)

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ChEBI Name pivaloyl-CoA(4−) ChEBI ID CHEBI:136712 ChEBI ASCII Name pivaloyl-CoA(4-) Definition A short chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of pivaloyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,17-,18-,19+,23-/m1/s1 InChIKey FCMKBHDFOPWWQK-NDZSKPAWSA-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(C)(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O ChEBI Ontology Outgoing pivaloyl-CoA(4−) (CHEBI:136712) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508) pivaloyl-CoA(4−) (CHEBI:136712) is a saturated fatty acyl-CoA(4−) (CHEBI:77332) pivaloyl-CoA(4−) (CHEBI:136712) is a short chain fatty acyl-CoA(4−) (CHEBI:137040) pivaloyl-CoA(4−) (CHEBI:136712) is conjugate base of pivaloyl-CoA (CHEBI:137545) Incoming pivaloyl-CoA (CHEBI:137545) is conjugate acid of pivaloyl-CoA(4−) (CHEBI:136712) Synonyms Sources 2,2-dimethylpropanoyl-CoA UniProt 2,2-dimethylpropanoyl-CoA(4−) SUBMITTER pivalyl-CoA(4−) ChEBI Citation Type Source 22167181 PubMed citation SUBMITTER Last Modified 08 November 2021