LIPID MAPS

Structure Database (LMSD)

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Systematic Name

14-methyl-9E-pentadecenoic acid

Synonyms

LM ID

LMFA01031198

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

unclassified Actinomycetales (#105426)

Actinomycetes (#1760)

Bioassay- and metabolomics-guided screening of bioactive soil actinomycetes from the ancient city of Ihnasia, Egypt.,
PLoS One, 2019

Pubmed ID: 31887193

DOI: 10.1371/journal.pone.0226959

String Representations

InChiKey (Click to copy)

YRYADTKRRRPFOA-FNORWQNLSA-N

InChi (Click to copy)

InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5,7,15H,3-4,6,8-14H2,1-2H3,(H,17,18)/b7-5+

SMILES (Click to copy)

C(CCCCCCC/C=C/CCCC(C)C)(=O)O

Other Databases

PubChem CID

117846794

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

Admin

Created at

7th Oct 2020

Updated at