Structure Database (LMSD)

O OH
Common Name
17:1(12)(7Me)
Systematic Name
7-methyl-12-heptadecenoic acid
Synonyms
LM ID
LMFA01020374
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
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)
QSJQSHPYAWGMIN-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-11-14-17(2)15-12-10-13-16-18(19)20/h6-7,17H,3-5,8-16H2,1-2H3,(H,19,20)/b7-6-
SMILES (Click to copy)
C(CCCCCC(C)CCCC/C=C\CCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Baikalospongia bacillifera (#83851)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

PubChem CID
52921789

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.96
Molar Refractivity 87.02

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Created at
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Updated at
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