Structure Database (LMSD)
Common Name
Gallicynoic acid F
Systematic Name
9,10,11,14- tetrahydroxy-octadeca-12-ynoic acid
Synonyms
LM ID
LMFA01050573
Formula
Exact Mass
Calculate m/z
344.219891
Sum Composition
Status
Curated
3D model of Gallicynoic acid F
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
J Nat Prod, 2008
Pubmed ID:
18247526
DOI:
10.1021/np070638p
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
Other Databases
PubChem CID
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