Structure Database (LMSD)

Common Name
Gallicynoic acid A
Systematic Name
7,10-dihydroxytetradeca-5Z-en-8-ynoic acid
Synonyms
LM ID
LMFA01050575
Formula
C14H22O4
Exact Mass
Calculate m/z
254.15181
Sum Composition
FA 14:3;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)
WSAOFJBMEVAKDJ-YVMONPNESA-N
InChi (Click to copy)
InChI=1S/C14H22O4/c1-2-3-7-12(15)10-11-13(16)8-5-4-6-9-14(17)18/h5,8,12-13,15-16H,2-4,6-7,9H2,1H3,(H,17,18)/b8-5-
SMILES (Click to copy)
OC(=O)CCC/C=C\C(O)C#CC(O)CCCC

Other Databases

PubChem CID
171120240

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 275.36
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.29
Molar Refractivity 70.97

Admin

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