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
Main
Classification
Category
Main Class
Sub Class
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
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
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