Structure Database (LMSD)

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
Curated
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

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

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

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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