Structure Database (LMSD)

Common Name
ELV-N32
Systematic Name
(14Z,17Z,20R,21E,23E,25Z,27S,29Z)-20,27-dihydroxydotriaconta-14,17,21,23,25,29-hexaenoic acid
Synonyms
  • Elovanoid N32
LM ID
LMFA01050553
Formula
C32H52O4
Exact Mass
Calculate m/z
500.38656
Sum Composition
FA 32:6;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)
HAGAAYCQMVSCFY-IORKINDHSA-N
InChi (Click to copy)
InChI=1S/C32H52O4/c1-2-3-20-25-30(33)27-22-18-19-23-28-31(34)26-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-24-29-32(35)36/h3,10,12,16,18-23,27-28,30-31,33-34H,2,4-9,11,13-15,17,24-26,29H2,1H3,(H,35,36)/b12-10-,19-18+,20-3-,21-16-,27-22-,28-23+/t30-,31+/m0/s1
SMILES (Click to copy)
C(CCCCCCCCCCCC/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
122490527

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 578.84
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 8.96
Molar Refractivity 155.06

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Created at
-
Updated at
1st Jul 2022