EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84182 - 2-methylhexadecanoyl-CoA(4−)

ChEBI IDCHEBI:84182
ChEBI Name2-methylhexadecanoyl-CoA(4−)
Stars
ASCII Name2-methylhexadecanoyl-CoA(4-)
DefinitionA long-chain fatty acyl-CoA(4−) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-methylhexadecanoyl-CoA; major species at pH 7.3
Last Modified8 November 2021
Submitternhn
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCCCCCCCCCCCCCCC(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/C38H68N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)37(50)66-21-20-40-28(46)18-19-41-35(49)32(48)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-31(61-63(51,52)53)30(47)36(60-27)45-25-44-29-33(39)42-24-43-34(29)45/h24-27,30-32,36,47-48H,5-23H2,1-4H3,(H,40,46)(H,41,49)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t26?,27-,30-,31-,32+,36-/m1/s1
InChIKeyQZFDHHYXOIZHRU-FWWYCUMBSA-J
ChEBI Ontology
Outgoing Relation(s)
2-methylhexadecanoyl-CoA(4−) (CHEBI:84182) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
2-methylhexadecanoyl-CoA(4−) (CHEBI:84182) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
2-methylhexadecanoyl-CoA(4−) (CHEBI:84182) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
2-methylhexadecanoyl-CoA(4−) (CHEBI:84182) is conjugate base of 2-methylhexadecanoyl-CoA (CHEBI:85074)
Incoming Relation(s)
2-methylhexadecanoyl-CoA (CHEBI:85074) is conjugate acid of 2-methylhexadecanoyl-CoA(4−) (CHEBI:84182)
Synonym  Source
2-methylhexadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-methylhexadecanoyl-CoAUniProt
Citations