LIPID MAPS

Structure Database (LMSD)

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Common Name

15:1(4)(13Me)

Systematic Name

13-methyl-4-pentadecenoic acid

Synonyms

LM ID

LMFA01030893

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

Baikalospongia bacillifera (#83851)

Demospongiae (#6042)

Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003

Pubmed ID: 12691847

String Representations

InChiKey (Click to copy)

MUVLQWOCERFLPN-NTMALXAHSA-N

InChi (Click to copy)

InChI=1S/C16H30O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h8,10,15H,3-7,9,11-14H2,1-2H3,(H,17,18)/b10-8-

SMILES (Click to copy)

C(CC/C=C\CCCCCCCC(C)CC)(=O)O

Other Databases

CHEBI ID

179824

PubChem CID

52921848

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 297.66

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 5.18

Molar Refractivity 77.78

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