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CHEBI:165614 - 3-hydroxypalmitoyl-CoA

Default Structure
ChEBI IDCHEBI:165614
ChEBI Name3-hydroxypalmitoyl-CoA
Stars
Last Modified1 May 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66N7O18P3S
Net Charge0
Average Mass1021.955
Monoisotopic Mass1021.33979
SMILESCCCCCCCCCCCCCC(O)CC(=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/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25?,26-,30-,31-,32+,36-/m1/s1
InChIKeyDEHLMTDDPWDRDR-QTFKDKGUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypalmitoyl-CoA (CHEBI:165614) has functional parent 3-hydroxypalmitic acid (CHEBI:37248)
3-hydroxypalmitoyl-CoA (CHEBI:165614) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-hydroxypalmitoyl-CoA (CHEBI:165614) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
3-hydroxypalmitoyl-CoA (CHEBI:165614) is a long-chain fatty acyl-CoA (CHEBI:33184)
Incoming Relation(s)
(R)-3-hydroxypalmitoyl-CoA (CHEBI:74459) is a 3-hydroxypalmitoyl-CoA (CHEBI:165614)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is a 3-hydroxypalmitoyl-CoA (CHEBI:165614)
IUPAC Name 
S-[2-({N-[(2R)-4-{[{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanoyl]-β-alanyl}amino)ethyl] 3-hydroxyhexadecanethioate
Synonyms  Source
3-hydroxyhexadecanoyl-CoAChEBI
3-hydroxyhexadecanoyl-coenzyme AChEBI
3-hydroxypalmitoyl-coenzyme AChEBI
Manual XrefsDatabases
2339852ChemSpider