LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Hexatriaconta-27Z,30Z,33Z-trienoic acid

Synonyms

LM ID

LMFA01031273

Formula

C₃₆H₆₆O₂

Exact Mass

Calculate m/z

530.50628

Sum Composition

FA 36:3

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)

UOCHRUUPVFIVEF-PDBXOOCHSA-N

InChi (Click to copy)

InChI=1S/C36H66O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h3-4,6-7,9-10H,2,5,8,11-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC)CCCC(=O)O

Other Databases

PubChem CID

171118570

Calculated Physicochemical Properties

Heavy Atoms 38

Rings

Aromatic Rings

Rotatable Bonds 31

Van der Waals Molecular Volume 638.38

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 12.68

Molar Refractivity 170.01

Admin

Created at

30th Apr 2022

Updated at