Structure Database (LMSD)

Common Name
Pantheric Acid B
Systematic Name
6S-hydroxy-2E,4Z,19Z-tetracosatrienoic acid
Synonyms
LM ID
LMFA01031178
Formula
C24H42O3
Exact Mass
Calculate m/z
378.313395
Sum Composition
FA 24:3;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)
FVNQDZDHNYESSE-CASDLTSKSA-N
InChi (Click to copy)
InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h5-6,18-19,21-23,25H,2-4,7-17,20H2,1H3,(H,26,27)/b6-5-,21-18-,22-19+/t23-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C\[C@@H](O)CCCCCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

PubChem CID
145721312

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 439.57
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 7.26
Molar Refractivity 116.50

Admin

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