Structure Database (LMSD)
Common Name
ELV-N34
Systematic Name
(16Z,19Z,22R,23E,25E,27Z,29S,31Z)-22,29-dihydroxytetratriaconta-16,19,23,25,27,31-hexaenoic acid
Synonyms
- Elovanoid N34
LM ID
LMFA01050554
Formula
Exact Mass
Calculate m/z
528.41786
Sum Composition
Status
Active
3D model of ELV-N34
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RELOZBYGQUUUEG-FMNPVTMVSA-N
InChi (Click to copy)
InChI=1S/C34H56O4/c1-2-3-22-27-32(35)29-24-20-21-25-30-33(36)28-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-26-31-34(37)38/h3,12,14,18,20-25,29-30,32-33,35-36H,2,4-11,13,15-17,19,26-28,31H2,1H3,(H,37,38)/b14-12-,21-20+,22-3-,23-18-,29-24-,30-25+/t32-,33+/m0/s1
SMILES (Click to copy)
C(CCCCCCCCCCCCCC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
613.44
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
9.74
Molar Refractivity
164.29
Admin
Created at
-
Updated at
20th May 2020