Structure Database (LMSD)

OH O O O
Common Name
Pantheric Acid C
Systematic Name
10-methoxy-10-oxo-2E-decenoic acid
Synonyms
LM ID
LMFA01170139
Formula
C11H18O4
Exact Mass
Calculate m/z
214.12051
Sum Composition
FA 11:2;O2
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]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
PAZIVHODBVDWOT-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C11H18O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7,9H2,1H3,(H,12,13)/b8-6+
SMILES (Click to copy)
C(/C=C/CCCCCCC(=O)OC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amanita pantherina (#67721)
Agaricomycetes (#155619)
Pantheric Acids A-C from a Poisonous Mushroom, Amanita pantherina, Promote Lipid Accumulation in Adipocytes,
J. Nat. Prod, 2019
Pubmed ID: 31724396

Other Databases

PubChem CID
145721313

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 226.10
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.14
Molar Refractivity 56.49

Admin

Created at
25th Mar 2020
Updated at
1st Feb 2021