Structure Database (LMSD)
Common Name
Oryzaceramide C
Systematic Name
N-(2R-hydroxy-eicosanoyl)-1-(6-O-(9Z,12Z-octadecadienoyl)-β-glucosyl)-4E,8Z-sphingadienine
Synonyms
3D model of Oryzaceramide C
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)
MKZQQJTWDHPSIF-YXWBUNPSSA-N
InChi (Click to copy)
InChI=1S/C62H113NO10/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(65)61(70)63-53(54(64)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3)51-72-62-60(69)59(68)58(67)56(73-62)52-71-57(66)50-47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h17,20,26,28,33,36,45,48,53-56,58-60,62,64-65,67-69H,4-16,18-19,21-25,27,29-32,34-35,37-44,46-47,49-52H2,1-3H3,(H,63,70)/b20-17-,28-26-,36-33-,48-45+/t53-,54+,55+,56+,58+,59-,60+,62+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC
Calculated Physicochemical Properties
Heavy Atoms
73
Rings
1
Aromatic Rings
Rotatable Bonds
52
Van der Waals Molecular Volume
1151.86
Topological Polar Surface Area
177.08
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
11
logP
16.92
Molar Refractivity
306.26
Admin
Created at
15th Dec 2025
Updated at
15th Dec 2025