Structure Database (LMSD)

Common Name
Gallicynoic acid G
Systematic Name
5S,8R-dihydroxy-dodeca-6-ynoic acid
Synonyms
LM ID
LMFA01050570
Formula
Exact Mass
Calculate m/z
228.13616
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FFERRNKFKPTEJW-MNOVXSKESA-N
InChi (Click to copy)
InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1
SMILES (Click to copy)
C(CCC[C@H](O)C#C[C@H](O)CCCC)(=O)O

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

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 243.40
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 1.73
Molar Refractivity 61.83

Admin

Created at
5th Jun 2020
Updated at
5th Jun 2020