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CHEBI:84207 - 16-hydroxyhexadecanoyl-CoA(4−)

ChEBI IDCHEBI:84207
ChEBI Name16-hydroxyhexadecanoyl-CoA(4−)
Stars
ASCII Name16-hydroxyhexadecanoyl-CoA(4-)
DefinitionAn ω-hydroxy fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 16-hydroxyhexadecanoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
Submitternhn
DownloadsMolfile
FormulaC37H62N7O18P3S
Net Charge-4
Average Mass1017.923
Monoisotopic Mass1017.31068
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C37H66N7O18P3S/c1-37(2,32(49)35(50)40-18-17-27(46)39-19-21-66-28(47)16-14-12-10-8-6-4-3-5-7-9-11-13-15-20-45)23-59-65(56,57)62-64(54,55)58-22-26-31(61-63(51,52)53)30(48)36(60-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,45,48-49H,3-23H2,1-2H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1
InChIKeyROZGNNDROQHXPF-BBECNAHFSA-J
ChEBI Ontology
Outgoing Relation(s)
16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207) is a ω-hydroxy fatty acyl-CoA(4−) (CHEBI:84204)
16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207) is conjugate base of 16-hydroxyhexadecanoyl-CoA (CHEBI:85213)
Incoming Relation(s)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) is conjugate acid of 16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207)
Synonyms  Source
16-hydroxypalmitoyl-CoA(4−)SUBMITTER
16-hydroxypalmitoyl-coenzyme A(4−)ChEBI
16-hydroxyhexadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
16-hydroxyhexadecanoyl-CoAUniProt
Citations