Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01050554
Common NameELV-N34
Systematic Name(16Z,19Z,22R,23E,25E,27Z,29S,31Z)-22,29-dihydroxydotetratriaconta-16,19,23,25,
27,31-hexaenoic acid
SynonymsElovanoid N34
Exact Mass
528.4179 (neutral)    Calculate m/z:
FormulaC34H56O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
PubChem Compound ID (CID)-
InChIKeyRELOZBYGQUUUEG-FMNPVTMVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H56O4/c1-2-3-22-27-32(35)29-24-20-21-25-30-33(36)28-23-18-16-14-12-1
0-8-6-4-5-7-9-11-13-15-17-19-26-31-34(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
SMILESCC/C=C\C[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCCCCCCCCCCCCC(O)=O
StatusActive
ReferencesElovanoids are a novel class of homeostatic lipid mediators that protect neural cell integrity upon injury.S. Bhattacharjee, B. Jun, L. Belayev, J. Heap, M. Kautzmann, A. Obenaus, H. Menghani, S. J. Marcel, L. Khoutorova, R. Yang, N. A. Petasis and N G. Bazan Science Advances(2017) 3(9), e1700735 DOI: 10.1126/sciadv.1700735
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
613.44Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP9.74Molar
Refractivity
164.29    
logo LIPID MAPS is funded by a Wellcome Trust.