Structure Database (LMSD)

Common Name
13-dimethylarsinoyl-tridecanoic acid
Systematic Name
13-dimethylarsinoyl-tridecanoic acid
Synonyms
LM ID
LMFA00000034
Formula
C15H31O3As
Exact Mass
Calculate m/z
334.148916
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Other Fatty Acyls [FA00]

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)
ATYBQUGNOSSSRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H31AsO3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCC(=O)O)[As](C)(=O)C

Other Databases

CHEBI ID
185707
PubChem CID
101857686

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 313.71
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.00
Molar Refractivity 81.40

Admin

Created at
-
Updated at
14th Jun 2021