Structure Database (LMSD)

Common Name
14:0 Cholesterol ester
Systematic Name
cholest-5-en-3β-yl tetradecanoate
Synonyms
  • CE(14:0)
LM ID
LMST01020004
Formula
C41H72O2
Exact Mass
Calculate m/z
596.55323
Sum Composition
CE 14:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Steryl esters [ST0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
SJDMTGSQPOFVLR-ZPQCIJQQSA-N
InChi (Click to copy)
InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
SMILES (Click to copy)
C1[C@H](OC(=O)CCCCCCCCCCCCC)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1

Other Databases

HMDB ID
HMDB0006725
CHEBI ID
84304
PubChem CID
99486
SwissLipids ID
SLM:000500261
Cayman ID
26439

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 4
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 680.72
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.93
Molar Refractivity 184.52

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Updated at
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