Structure Database (LMSD)

Systematic Name
Dotriaconta-23Z,26Z,29Z-trienoic acid
Synonyms
LM ID
LMFA01031271
Formula
C32H58O2
Exact Mass
Calculate m/z
474.44368
Sum Composition
FA 32:3
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Identification of new Omega-3 very long chain poly-unsaturated fatty acids in meibomian gland secretions.,
Biochimie, 2022
Pubmed ID: 35476941

String Representations

InChiKey (Click to copy)
PSHFCOSGYXNDFG-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C32H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h3-4,6-7,9-10H,2,5,8,11-31H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)O

Other Databases

PubChem CID
171118568

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 569.18
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.12
Molar Refractivity 151.54

Admin

Created at
30th Apr 2022
Updated at
30th Apr 2022