Structure Database (LMSD)

O OH
Common Name
10-methyl-9Z-octadecenoic acid
Systematic Name
10-methyl-9Z-octadecenoic acid
Synonyms
LM ID
LMFA01020412
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)
RAILQKVJWBNVSR-VLGSPTGOSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h16H,3-15,17H2,1-2H3,(H,20,21)/b18-16-
SMILES (Click to copy)
C(CCCCCCC/C=C(/C)\CCCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Microsphaeropsis olivacea (#255777)
Dothideomycetes (#147541)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

Other Databases

PubChem CID
13908548

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 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.5
Molar Refractivity 91.7

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Updated at
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