Structure Database (LMSD)

Common Name
GlcCer(d18:0/14:0)
Systematic Name
N-(tetradecanoyl)-1-β-glucosyl-sphinganine
Synonyms
  • C14DH GlcCer
LM ID
LMSP0501AA28
Formula
C38H75NO8
Exact Mass
Calculate m/z
673.549269
Sum Composition
HexCer 32:0;O2
Abbrev Chains
GlcCer 18:0;O2/14:0
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]

String Representations

InChiKey (Click to copy)
SCBSLJVBXYHZPZ-CQNPEPNESA-N
InChi (Click to copy)
InChI=1S/C38H75NO8/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/h31-33,35-38,40-41,43-45H,3-30H2,1-2H3,(H,39,42)/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)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
24779576
SwissLipids ID
SLM:000398982

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 1
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 732.28
Topological Polar Surface Area 150.78
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 9.41
Molar Refractivity 193.61

Admin

Created at
-
Updated at
26th Jul 2021