RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0003148
RefMet nameCE 17:0
Alternative nameCE(17:0)
Systematic namecholest-5-en-3beta-yl heptadecanoate
SynonymsPubChem Synonyms
Sum CompositionCE 17:0 View other entries in RefMet with this sum composition
Exact mass638.600180 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC44H78O2View other entries in RefMet with this formula
Molecular descriptors
Molfile34692 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-
34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,43+,44-/m1/s1
InChIKeyPPQNZVDOBYGOLY-BFGJSWSOSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSterol Lipids
Main ClassSterol esters
Sub ClassChol. esters (Cholesterol esters)
Distribution of CE 17:0 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting CE 17:0
External Links
Pubchem CID14077841
LIPID MAPSLMST01020026
ChEBI ID84326
KEGG IDC02530
HMDB IDHMDB0060059
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving CE 17:0

Rxn IDKEGG ReactionEnzyme
R01461 Acyl-CoA + Cholesterol <=> CoA + Cholesterol esterAcyl-CoA:cholesterol O-acyltransferase
R01462 Cholesterol ester + H2O <=> Cholesterol + Fatty acidcholesterol ester acylhydrolase

Table of KEGG human pathways containing CE 17:0

Pathway IDHuman Pathway# of reactions
hsa00100 Steroid biosynthesis 2
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