Structure Database (LMSD)

Common Name
Gallicynoic acid D
Systematic Name
11,14-dihydroxyoctadeca-9Z-en-12-ynoic acid
Synonyms
LM ID
LMFA01050578
Formula
C18H30O4
Exact Mass
Calculate m/z
310.21441
Sum Composition
FA 18:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

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

String Representations

InChiKey (Click to copy)
ABCUJZSRBYAWAE-XFXZXTDPSA-N
InChi (Click to copy)
InChI=1S/C18H30O4/c1-2-3-11-16(19)14-15-17(20)12-9-7-5-4-6-8-10-13-18(21)22/h9,12,16-17,19-20H,2-8,10-11,13H2,1H3,(H,21,22)/b12-9-
SMILES (Click to copy)
C(CCC(=O)O)CCCC/C=C\C(O)C#CC(O)CCCC

Other Databases

PubChem CID
171120243

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 344.56
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.85
Molar Refractivity 89.43

Admin

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