LIPID MAPS

Structure Database (LMSD)

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Common Name

Gallicynoic acid B

Systematic Name

8,11-dihydroxypentadeca-6Z-en-9-ynoic acid

Synonyms

LM ID

LMFA01050576

Formula

C₁₅H₂₄O₄

Exact Mass

Calculate m/z

268.16746

Sum Composition

FA 15:3;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

USYGFJALDRCDGW-TWGQIWQCSA-N

InChi (Click to copy)

InChI=1S/C15H24O4/c1-2-3-8-13(16)11-12-14(17)9-6-4-5-7-10-15(18)19/h6,9,13-14,16-17H,2-5,7-8,10H2,1H3,(H,18,19)/b9-6-

SMILES (Click to copy)

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

171120241

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 0

Aromatic Rings 0

Rotatable Bonds 9

Van der Waals Molecular Volume 292.66

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 2.68

Molar Refractivity 75.58

Admin

Created at

5th Jun 2020

Updated at