LIPID MAPS

Structure Database (LMSD)

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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

No other lipid differing only in stereochemistry/bond geometry found

Classification

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

Aromatic Rings

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