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
C34H56O4
Exact Mass
Calculate m/z
528.41786
Sum Composition
FA 34:6;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Elovanoids are a novel class of homeostatic lipid mediators that protect neural cell integrity upon injury.,
Sci Adv, 2017
Pubmed ID: 28959727

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

Other Databases

PubChem CID
122490529

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

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Created at
-
Updated at
20th May 2020