Structure Database (LMSD)

Common Name
Isopentadecylic acid
Systematic Name
13-methyl-tetradecanoic acid
Synonyms
  • 13-methylmyristic acid
  • Isopentadecanoic acid
  • Subtilopentadecanoic acid
LM ID
LMFA01020009
Status
Active
Exact Mass
Calculate m/z
242.22458
Formula
Abbrev



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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
ZOCYQVNGROEVLU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
SMILES (Click to copy)
C(CCC(C)C)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ovis aries (#9940)
Mammalia (#40674)
The branched-chain fatty acids of mutton fat. II. The isolation of (+)-12-methyltetradecanoic acid and the 13-methyltetradecanoic acid.,
Biochem J, 1953
Pubmed ID: 13032080
Myxococcus xanthus (#34)
Deltaproteobacteria (#28221)
Fatty acids of Myxococcus xanthus.,
J Bacteriol, 1973
Pubmed ID: 4197903

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.02
Molar Refractivity 73.26

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Updated at
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