LIPID MAPS

Structure Database (LMSD)

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Common Name

6-methyl-9-heptadecenoic acid

Systematic Name

6-methyl-9E-nonadecenoic acid

Synonyms

LM ID

LMFA01020428

Formula

C₂₀H₃₈O₂

Exact Mass

Calculate m/z

310.28718

Sum Composition

FA 20:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Moesziomyces rugulosus (#84752)

Ustilaginomycetes (#5257)

Purification and characterization of new fatty acids with antibiotic activity produced bySporothrix flocculosa.,
J Chem Ecol, 1996

Pubmed ID: 24227481

String Representations

InChiKey (Click to copy)

ADPXSSSUBLSXMG-VAWYXSNFSA-N

InChi (Click to copy)

InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)17-14-15-18-20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/b12-11+

SMILES (Click to copy)

C(CCCCC(C)CC/C=C/CCCCCCCCC)(=O)O

Other Databases

PubChem CID

171119112

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 0

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 366.86

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 6.74

Molar Refractivity 96.25

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Created at

22nd Apr 2020

Updated at