Structure Database (LMSD)

Common Name
Asteriacerebroside G
Systematic Name
GlcCer 22:2(4E,13Z);3OH[R]/14:0;2OH[R]
Synonyms
  • 1-O-(beta-d-glucopyranosyl)-(2S,3R,4E,13Z)-2-[(2'R)-2-hydroxytetradecanoylamino]-4,13-docosadiene-1,3-diol
LM ID
LMSP05010214
Formula
C42H79NO9
Exact Mass
Calculate m/z
741.575485
Sum Composition
HexCer 36:2;O3
Abbrev Chains
GlcCer 22:2;O2/14:0;O
Status
Curated
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
Asterias amurensis (#7602)
Asteroidea (#7588)
A ceramide and cerebroside from the starfish asterias amurensis Lütken and their plant-growth promotion activities.,
J Nat Prod, 2006
Pubmed ID: 16872149

String Representations

InChiKey (Click to copy)
MOQQBSZILUXXBS-OJKKOOKUSA-N
InChi (Click to copy)
InChI=1S/C42H79NO9/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(45)34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)43-41(50)36(46)31-29-27-25-22-14-12-10-8-6-4-2/h16-17,28,30,34-40,42,44-49H,3-15,18-27,29,31-33H2,1-2H3,(H,43,50)/b17-16-,30-28+/t34-,35+,36+,37+,38+,39-,40+,42+/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)CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCC/C=C\CCCCCCCC

Other Databases

PubChem CID
11843313

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 1
Aromatic Rings
Rotatable Bonds 34
Van der Waals Molecular Volume 804.99
Topological Polar Surface Area 171.01
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 9.77
Molar Refractivity 213.79

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Created at
3rd Nov 2026
Updated at
3rd Nov 2026