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CHEBI:136712 - pivaloyl-CoA(4−)

ChEBI IDCHEBI:136712
ChEBI Namepivaloyl-CoA(4−)
Stars
ASCII Namepivaloyl-CoA(4-)
DefinitionA 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.
Last Modified8 November 2021
Submitternhn
DownloadsMolfile
FormulaC26H40N7O17P3S
Net Charge-4
Average Mass847.627
Monoisotopic Mass847.14362
SMILESCC(C)(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=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
InChIKeyFCMKBHDFOPWWQK-NDZSKPAWSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
pivaloyl-CoA (CHEBI:137545) is conjugate acid of pivaloyl-CoA(4−) (CHEBI:136712)
Synonyms  Source
2,2-dimethylpropanoyl-CoA(4−)SUBMITTER
pivalyl-CoA(4−)ChEBI
UniProt Name  Source
2,2-dimethylpropanoyl-CoAUniProt
Citations