Structure Database (LMSD)

Common Name
Gallicynoic acid C
Systematic Name
9,12-dihydroxyhexadeca-7Z-en-10-ynoic acid
Synonyms
LM ID
LMFA01050577
Formula
C16H26O4
Exact Mass
Calculate m/z
282.18311
Sum Composition
FA 16:3;O2
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)
IJBTXFFPFVNDAG-YFHOEESVSA-N
InChi (Click to copy)
InChI=1S/C16H26O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h7,10,14-15,17-18H,2-6,8-9,11H2,1H3,(H,19,20)/b10-7-
SMILES (Click to copy)
C(C(=O)O)CCCC/C=C\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
171120242

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 309.96
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.07
Molar Refractivity 80.20

Admin

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