Structure Database (LMSD)

OH O
Common Name
9,14-dimethylpentadecanoic acid
Systematic Name
9,14-dimethylpentadecanoic acid
Synonyms
LM ID
LMFA01020281
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
FA 17:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HOTWXTNEUCIUPL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-15(2)11-9-10-13-16(3)12-7-5-4-6-8-14-17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)
SMILES (Click to copy)
CC(C)CCCCC(C)CCCCCCCC(O)=O

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

CHEBI ID
179981
PubChem CID
42607285

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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