Structure Database (LMSD)

Common Name
15:1(4)(13Me)
Systematic Name
13-methyl-4-pentadecenoic acid
Synonyms
LM ID
LMFA01030893
Formula
Exact Mass
Calculate m/z
254.22458
Sum Composition
Status
Curated

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
PubChem CID

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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Updated at
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