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
LM ID
LMSP05010206
Formula
Exact Mass
Calculate m/z
1031.836451
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryza sativa (#4530)
Magnoliopsida (#3398)
Oryzaceramides A–C, acylated glucosylceramides with epidermal barrier functions, isolated from rice bran,
Phytochem Lett, 2026

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

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Created at
15th Dec 2025
Updated at
15th Dec 2025