Structure Database (LMSD)

Common Name
12,15-dimethyl-hexadecanoic acid
Systematic Name
12,15-dimethyhexadecanoic acid
Synonyms
  • 12,15-diMe-16:0
LM ID
LMFA01020421
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
FA 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thermogemmatispora sp. (#1968838)
Ktedonobacteria (#388447)
A novel fatty acid, 12,17-dimethyloctadecanoic acid, from the extremophile Thermogemmatispora sp. (Strain T81).,
Lipids, 2012
Pubmed ID: 22476737

String Representations

InChiKey (Click to copy)
OBWKSDPDCYMWRS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-16(2)14-15-17(3)12-10-8-6-4-5-7-9-11-13-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCC(C)CCC(C)C)(=O)O

Other Databases

PubChem CID
129853828

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.04
Molar Refractivity 87.04

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Updated at
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