Structure Database (LMSD)
Common Name
GlcCer(d18:1/14:0)
Systematic Name
N-(tetradecanoyl)-1-β-glucosyl-sphing-4-enine
Synonyms
- C14 GlcCer
LM ID
LMSP0501AA26
Formula
Exact Mass
Calculate m/z
671.533619
Sum Composition
Abbrev Chains
GlcCer 18:1;O2/14:0
Status
Active
3D model of GlcCer(d18:1/14:0)
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)
BDGGMKFFYWPIFU-ONXCDSSJSA-N
InChi (Click to copy)
InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25+/t31-,32+,33+,35+,36-,37+,38+/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(CCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
1
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
729.64
Topological Polar Surface Area
150.78
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
8
logP
9.18
Molar Refractivity
193.52
Admin
Created at
-
Updated at
26th Jul 2021