Structure Database (LMSD)

Common Name
Cer(t26:1(8E)/10:0(2OH[R]))
Systematic Name
N-(2R-hydroxydecanoyl)-4R-hydroxy-8E-hexacosasphingenine
Synonyms
  • (2R)-2-hydroxy-N-((E,2S,3S,4R)-1,3,4-trihydroxyhexacos-8-en-2-yl) decanamide
LM ID
LMSP02030030
Status
Active
Exact Mass
Calculate m/z
597.533224
Formula
Abbrev
Abbrev Chains
Cer 26:1;O3/10:0;O


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UQOBAFKCDYWGCV-XKYYIDDPSA-N
InChi (Click to copy)
InChI=1S/C36H71NO5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27-29-33(39)35(41)32(31-38)37-36(42)34(40)30-28-25-10-8-6-4-2/h23-24,32-35,38-41H,3-22,25-31H2,1-2H3,(H,37,42)/b24-23+/t32-,33+,34+,35-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCC/C=C/CCCCCCCCCCCCCCCCC

References

Reference
Novel chemical constituents with anti-inflammatory activity from the leaves of Sesbania aculeata. Shelly Sharma, Sunil K. Chattopadhyay, Monika Singh, Dnyaneshwar U. Bawankule and Satyanshu Kumar. Phytochemistry. Volume 100, April 2014, pp. 132-140.

https://www.sciencedirect.com/science/article/pii/S0031942214000260

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sesbania (#3894)
Magnoliopsida (#3398)
Novel chemical constituents with anti-inflammatory activity from the leaves of Sesbania aculeata.,
Phytochemistry, 2014
Pubmed ID: 24503502

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 681.03
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 9.72
Molar Refractivity 180.10

Admin

Created at
-
Updated at
18th Mar 2021