CHEBI:85213 - 16-hydroxyhexadecanoyl-CoA

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ChEBI Name 16-hydroxyhexadecanoyl-CoA
ChEBI ID CHEBI:85213
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H66N7O18P3S
Net Charge 0
Average Mass 1021.94200
Monoisotopic Mass 1021.33979
InChI InChI=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
InChIKey ROZGNNDROQHXPF-BBECNAHFSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 ω-hydroxy fatty acyl-CoA (CHEBI:85212)
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 conjugate acid of 16-hydroxyhexadecanoyl-CoA(4−) (CHEBI:84207)
Incoming 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 Sources
16-hydroxyhexadecanoyl-coenzyme A ChEBI
16-hydroxypalmitoyl-CoA ChEBI
16-hydroxypalmitoyl-coenzyme A ChEBI
Registry Number Type Source
11195626 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21193570 PubMed citation Europe PMC
Last Modified
31 March 2015