LIPID MAPS

Structure Database (LMSD)

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Common Name

(-)-Mycomycin

Systematic Name

(3E,5E)-tetradeca-3,5,7,8-tetraen-10,12-diynoic acid

Synonyms

Tetradeca-3,5,7,8-tetraen-10,12-diynoic acid

LM ID

LMFA01031139

Formula

C₁₄H₁₂O₂

Exact Mass

Calculate m/z

212.08373

Sum Composition

FA 14:8

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Actinomycetales (#105426)

Actinomycetes (#1760)

Biosynthesis and function of polyacetylenes and allied natural products.,
Prog Lipid Res, 2008

Pubmed ID: 18387369

DOI: 10.1016/j.plipres.2008.02.002

String Representations

InChiKey (Click to copy)

FYRXMBRLTCXLBI-HULFFUFUSA-N

InChi (Click to copy)

InChI=1S/C14H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6,8-12H,13H2,1H3,(H,15,16)/b10-9+,12-11+

SMILES (Click to copy)

C(=C=C/C=C/C=C/CC(O)=O)C#CC#CC

Other Databases

PubChem CID

134812104

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 0

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 244.58

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 2.31

Molar Refractivity 64.41

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