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CHEBI:83969 - 3-methylpalmitoyl-CoA(4−)

ChEBI IDCHEBI:83969
ChEBI Name3-methylpalmitoyl-CoA(4−)
Stars
ASCII Name3-methylpalmitoyl-CoA(4-)
DefinitionA 3-methyl fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-methylpalmitoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCCCCCCCCCCCCCC(C)CC(=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/C38H68N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(2)21-29(47)66-20-19-40-28(46)17-18-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t26?,27-,31-,32-,33+,37-/m1/s1
InChIKeyZLODFYCZPXYUFC-JKWRZQDASA-J
ChEBI Ontology
Outgoing Relation(s)
3-methylpalmitoyl-CoA(4−) (CHEBI:83969) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-methylpalmitoyl-CoA(4−) (CHEBI:83969) is a 3-methyl fatty acyl-CoA(4−) (CHEBI:83968)
3-methylpalmitoyl-CoA(4−) (CHEBI:83969) is conjugate base of 3-methylpalmitoyl-CoA (CHEBI:84992)
Incoming Relation(s)
3-methylpalmitoyl-CoA (CHEBI:84992) is conjugate acid of 3-methylpalmitoyl-CoA(4−) (CHEBI:83969)
Synonyms  Source
3-methylhexadecanoyl-CoA(4−)SUBMITTER
3-methylhexadecanoyl-coenzyme A(4−)ChEBI
3-methylpalmitoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-methylhexadecanoyl-CoAUniProt