Structure Database (LMSD)
Common Name
Cer(t18:0/17:0)
Systematic Name
N-(heptadecanoyl)-4R-hydroxysphinganine
Synonyms
- N-(heptadecanoyl)-phytoceramide
- Cer[NP]
LM ID
LMSP02030053
Formula
Exact Mass
Calculate m/z
569.538309
Sum Composition
Abbrev Chains
Cer 18:0;O3/17:0
Status
Active
3D model of Cer(t18:0/17:0)
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
References
String Representations
InChiKey (Click to copy)
WRBLYLUHABAWGS-UJNSZXMOSA-N
InChi (Click to copy)
InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(39)36-32(31-37)35(40)33(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33,35,37-38,40H,3-31H2,1-2H3,(H,36,39)/t32-,33+,35-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
657.58
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
10.29
Molar Refractivity
173.68
Admin
Created at
28th Apr 2020
Updated at
28th Apr 2020