LIPID MAPS

Structure Database (LMSD)

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Common Name

Gallicynoic acid G

Systematic Name

5S,8R-dihydroxy-dodeca-6-ynoic acid

Synonyms

LM ID

LMFA01050570

Formula

C₁₂H₂₀O₄

Exact Mass

Calculate m/z

228.13616

Sum Composition

FA 12:2;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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

24800367

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

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Created at

5th Jun 2020

Updated at