LIPID MAPS

Structure Database (LMSD)

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Common Name

32-methyl-13Z,25Z-tritriacontadien-33-olide

Systematic Name

32-methyl-13Z,25Z-tritriacontadien-33-olide

Synonyms

LM ID

LMFA07040069

Formula

C₃₄H₆₂O₂

Exact Mass

Calculate m/z

502.47498

Sum Composition

FA 34:3

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

Equus caballus (#9796)

Mammalia (#40674)

Structures of the dienoic lactones of horse sebum.,
Comp Biochem Physiol B, 1984

Pubmed ID: 6478788

String Representations

InChiKey (Click to copy)

IKQSFNLZJLQFIZ-IRJVNLBBSA-N

InChi (Click to copy)

InChI=1S/C34H62O2/c1-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)36-32-33/h7,9,18,20,33H,2-6,8,10-17,19,21-32H2,1H3/b9-7-,20-18-

SMILES (Click to copy)

C1(CCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCC(C)CO1)=O

Other Databases

PubChem CID

171118977

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 1

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 594.06

Topological Polar Surface Area 28.37

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 11.72

Molar Refractivity 158.94

Admin

Created at

29th Apr 2020

Updated at