Structure Database (LMSD)

Common Name
8,14-dimethyl-pentadecanoic acid
Systematic Name
8,14-dimethylpentadecanoic acid
Synonyms
LM ID
LMFA01020418
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
FA 17:0
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)
NBUYWCOPCUYHNV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-15(2)11-7-6-9-13-16(3)12-8-4-5-10-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCC(C)CCCCCC(C)C)(=O)O

Other Databases

PubChem CID
129854017

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.65
Molar Refractivity 82.42

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Updated at
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