Structure Database (LMSD)

Common Name
Oryzaceramide A
Systematic Name
N-(2R-hydroxy-eicosanoyl)-1-(6-O-hexadecanoyl-β-glucosyl)-4E,8Z-sphingadienine
Synonyms
LM ID
LMSP05010204
Formula
Exact Mass
Calculate m/z
1007.836451
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)
LVZBCJRKYDTIPD-BDUOTMKJSA-N
InChi (Click to copy)
InChI=1S/C60H113NO10/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(63)59(68)61-51(52(62)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2)49-70-60-58(67)57(66)56(65)54(71-60)50-69-55(64)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3/h31,34,43,46,51-54,56-58,60,62-63,65-67H,4-30,32-33,35-42,44-45,47-50H2,1-3H3,(H,61,68)/b34-31-,46-43+/t51-,52+,53+,54+,56+,57-,58+,60+/m0/s1
SMILES (Click to copy)
[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CCCCCCCCCCCCCCC)=O)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C\CCCCCCCCC

Calculated Physicochemical Properties

Heavy Atoms 71
Rings 1
Aromatic Rings
Rotatable Bonds 52
Van der Waals Molecular Volume 1122.54
Topological Polar Surface Area 177.08
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 16.59
Molar Refractivity 297.21

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