Structure Database (LMSD)
Common Name
GlcCer(d18:1/18:1(9Z))
Systematic Name
N-(9Z-octadecenoyl)-1-β-glucosyl-sphing-4-enine
Synonyms
- C18:1 GlcCer
LM ID
LMSP0501AA27
Formula
Exact Mass
Calculate m/z
725.580569
Sum Composition
Abbrev Chains
GlcCer 18:1;O2/18:1
Status
Active
3D model of GlcCer(d18:1/18:1(9Z))
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
MVGFIPNJBNBHNC-HVFXMTMESA-N
InChi (Click to copy)
InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,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(CCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
1
Aromatic Rings
0
Rotatable Bonds
34
Van der Waals Molecular Volume
796.20
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
10.52
Molar Refractivity
211.89
Admin
Created at
-
Updated at
26th Jul 2021