Structure Database (LMSD)

OH OH OH O OH OH
Common Name
Gallicynoic acid F
Systematic Name
9,10,11,14- tetrahydroxy-octadeca-12-ynoic acid
Synonyms
LM ID
LMFA01050573
Formula
C18H32O6
Exact Mass
Calculate m/z
344.21989
Sum Composition
FA 18:2;O4
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]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
DTCUTCQYZMBUDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O6/c1-2-3-9-14(19)12-13-16(21)18(24)15(20)10-7-5-4-6-8-11-17(22)23/h14-16,18-21,24H,2-11H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C(O)C(O)C(O)C#CC(O)CCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Coriolopsis gallica (#76126)
Agaricomycetes (#155619)
Gallicynoic acids A-I, acetylenic acids from the basidiomycete Coriolopsis gallica.,
J Nat Prod, 2008
Pubmed ID: 18247526

Other Databases

PubChem CID
24800195

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 364.78
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 2.58
Molar Refractivity 93.33

Admin

Created at
5th Jun 2020
Updated at
29th Mar 2024