Structure Database (LMSD)

Common Name
Pantheric Acid A
Systematic Name
6S-hydroxy-2E,4Z-docosadienoic acid
Synonyms
LM ID
LMFA01031177
Formula
C22H40O3
Exact Mass
Calculate m/z
352.297745
Sum Composition
FA 22:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
KKPWDPXWIUPCGB-XUQULAACSA-N
InChi (Click to copy)
InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h16-17,19-21,23H,2-15,18H2,1H3,(H,24,25)/b19-16-,20-17+/t21-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C\[C@@H](O)CCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
145721311

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 407.61
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.70
Molar Refractivity 107.36

Admin

Created at
24th Mar 2020
Updated at
1st Feb 2021