Structure Database (LMSD)

Common Name
Cholesteryl hexacosanoate
Systematic Name
cholest-5-en-3β-yl hexacosanoate
Synonyms
  • CE(26:0)
  • 26:0 cholesteryl ester
LM ID
LMST01020106
Formula
C53H96O2
Exact Mass
Calculate m/z
764.74103
Sum Composition
CE 26:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
Tear film lipids.,
Exp Eye Res, 2013
Pubmed ID: 23769846

String Representations

InChiKey (Click to copy)
VQRZNVBRVZSWSB-GEBOYSNOSA-N
InChi (Click to copy)
InChI=1S/C53H96O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-51(54)55-46-38-40-52(5)45(42-46)34-35-47-49-37-36-48(44(4)32-30-31-43(2)3)53(49,6)41-39-50(47)52/h34,43-44,46-50H,7-33,35-42H2,1-6H3/t44-,46+,47+,48-,49+,50+,52+,53-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
71587321
SwissLipids ID
SLM:000500307

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 4
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 888.32
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 17.61
Molar Refractivity 239.92

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Created at
-
Updated at
20th Sep 2022