Structure Database (LMSD)

Common Name
GlcCer(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-1-β-glucosyl-sphinganine
Synonyms
  • C16DH GlcCer
LM ID
LMSP0501AA04
Formula
C40H79NO8
Exact Mass
Calculate m/z
701.580569
Sum Composition
HexCer 34:0;O2
Abbrev Chains
GlcCer 18:0;O2/16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
Pubmed ID: 20574076

String Representations

InChiKey (Click to copy)
BLGKYYVFGMKTEZ-UKDORTLVSA-N
InChi (Click to copy)
InChI=1S/C40H79NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,37-40,42-43,45-47H,3-32H2,1-2H3,(H,41,44)/t33-,34+,35+,37+,38-,39+,40+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
84782
PubChem CID
6321356
SwissLipids ID
SLM:000398973

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 1
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 766.88
Topological Polar Surface Area 150.78
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 10.19
Molar Refractivity 202.84

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Created at
-
Updated at
26th Jul 2021