Structure Database (LMSD)

Common Name
17-dimethylarsinoyl-9Z-heptadecenoic acid
Systematic Name
17-dimethylarsinoyl-9Z-heptadecenoic acid
Synonyms
LM ID
LMFA00000031
Formula
C19H37O3As
Exact Mass
Calculate m/z
388.195866
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Gadus morhua (#8049)
Actinopteri (#186623)
Arsenolipids in marine oils and fats: A review of occurrence, chemistry and future research needs.,
Food Chemistry, 2012

String Representations

InChiKey (Click to copy)
QLUKWCNWKNZIQN-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C19H37AsO3/c1-20(2,23)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22/h3-4H,5-18H2,1-2H3,(H,21,22)/b4-3-
SMILES (Click to copy)
C(CCCCCC/C=C\CCCCCCCC(=O)O)[As](C)(=O)C

Other Databases

CHEBI ID
185174
PubChem CID
101857689

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 380.27
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.33
Molar Refractivity 99.77

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Created at
-
Updated at
27th May 2021