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CHEBI:85213 - 16-hydroxyhexadecanoyl-CoA

ChEBI IDCHEBI:85213
ChEBI Name16-hydroxyhexadecanoyl-CoA
Stars
DefinitionAn ω-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 16-hydroxyhexadecanoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H66N7O18P3S
Net Charge0
Average Mass1021.955
Monoisotopic Mass1021.33979
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)/t26-,30-,31-,32+,36-/m1/s1
InChIKeyROZGNNDROQHXPF-BBECNAHFSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - PubMed (21193570)
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) has functional parent 16-hydroxyhexadecanoic acid (CHEBI:55328)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) has role plant metabolite (CHEBI:76924)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) is a long-chain fatty acyl-CoA (CHEBI:33184)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) is a ω-hydroxy fatty acyl-CoA (CHEBI:85212)
16-hydroxyhexadecanoyl-CoA (CHEBI:85213) is conjugate acid of 16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207)
Incoming Relation(s)
16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207) is conjugate base of 16-hydroxyhexadecanoyl-CoA (CHEBI:85213)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(16-hydroxyhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
16-hydroxypalmitoyl-coenzyme AChEBI
16-hydroxypalmitoyl-CoAChEBI
16-hydroxyhexadecanoyl-coenzyme AChEBI
Registry NumbersSources
Reaxys:11195626Reaxys
Citations