LIPID MAPS

Structure Database (LMSD)

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Common Name

cis-11,12-methylene-pentadecanoic acid

Systematic Name

cis-11,12-methylene-pentadecanoic acid

Synonyms

cis-11,12-MPD

LM ID

LMFA01140113

Formula

C₁₆H₃₀O₂

Exact Mass

Calculate m/z

254.22458

Sum Composition

FA 16:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sus scrofa (#9823)

Mammalia (#40674)

Novel odd-chain cyclopropane fatty acids: detection in a mammalian lipidome and uptake by hepatosplanchnic tissues.,
J Lipid Res, 2024

Pubmed ID: 39182606

String Representations

InChiKey (Click to copy)

ZZXIQUPXRMELTP-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H30O2/c1-2-10-14-13-15(14)11-8-6-4-3-5-7-9-12-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)

SMILES (Click to copy)

C(CCCCCCCCCC1CC1CCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 1

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 287.94

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.02

Molar Refractivity 75.69

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Created at

30th Aug 2024

Updated at