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CHEBI:86042 - 2-methyl-3-oxopalmitoyl-CoA(4−)

ChEBI IDCHEBI:86042
ChEBI Name2-methyl-3-oxopalmitoyl-CoA(4−)
Stars
ASCII Name2-methyl-3-oxopalmitoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 2-methyl-3-oxopalmitoyl-CoA.
Last Modified8 November 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC38H62N7O18P3S
Net Charge-4
Average Mass1029.934
Monoisotopic Mass1029.31068
SMILESCCCCCCCCCCCCCC(=O)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/C38H66N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(46)25(2)37(51)67-20-19-40-28(47)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-31(62-64(52,53)54)30(48)36(61-27)45-24-44-29-33(39)42-23-43-34(29)45/h23-25,27,30-32,36,48-49H,5-22H2,1-4H3,(H,40,47)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t25?,27-,30-,31-,32+,36-/m1/s1
InChIKeyWUWKXNAGPVGNAF-PDKNGGRYSA-J
ChEBI Ontology
Outgoing Relation(s)
2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042) is conjugate base of 2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317)
Incoming Relation(s)
2-methyl-3-oxopalmitoyl-CoA (CHEBI:86317) is conjugate acid of 2-methyl-3-oxopalmitoyl-CoA(4−) (CHEBI:86042)
Synonyms  Source
3-keto-2-methylpalmitoyl-CoA(4−)ChEBI
3-keto-2-methylhexadecanoyl-CoA(4−)ChEBI
3-keto-2-methylpalmitoyl-coenzyme A(4−)ChEBI
3-keto-2-methylhexadecanoyl-coenzyme A(4−)ChEBI
2-methyl-3-oxohexadecanoyl-coenzyme A(4−)ChEBI
2-methyl-3-oxohexadecanoyl-CoA(4−)ChEBI
UniProt Name  Source
3-oxo-2-methylhexadecanoyl-CoAUniProt
Citations