Structure Database (LMSD)

Common Name
GlcCer(d18:2(4E,8Z)/16:0(2OH[R]))
Systematic Name
N-(2R-hydroxyhexadecanoyl)-1-β-glucosyl-4E,8Z-octadecasphingadienine
Synonyms
  • 1-O-glucopyranosyl-2-N-2'-hydroxyhexadecanoyl-4,8-sphingadienine
LM ID
LMSP05010048
Status
Active
Exact Mass
Calculate m/z
713.544184
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HOMYIYLRRDTKAA-QZNXAUJSSA-N
InChi (Click to copy)
InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,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([C@H](O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC

References

Reference
Influence of phytohormones on polar and hydrophobic parts of mixed phospholipid monolayers at water/air interface. Barbara Gzyl, Maria Filek and Anna Dudek. Journal of Colloid and Interface Science, Volume 269, Issue 1, January 2004, pp. 153-157.
https://www.sciencedirect.com/science/article/pii/S002197970300910X

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 1
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 770.39
Topological Polar Surface Area 171.01
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 8.99
Molar Refractivity 204.56

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Created at
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Updated at
26th Jul 2021