Structure Database (LMSD)

OH O
Common Name
17-methyl-6Z-octadecenoic acid
Systematic Name
17-methyl-6Z-octadecenoic acid
Synonyms
LM ID
LMFA01020001
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
FA 19:1
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
QWCJNFBLSZGETP-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h7,9,18H,3-6,8,10-17H2,1-2H3,(H,20,21)/b9-7-
SMILES (Click to copy)
OC(CCCC/C=C\CCCCCCCCCC(C)C)=O

References

Other Databases

KEGG ID
C13787
CHEBI ID
34176
PubChem CID
5282256

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.35
Molar Refractivity 91.63

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Created at
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Updated at
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