LIPID MAPS

Structure Database (LMSD)

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Common Name

Patulolide C

Systematic Name

4S-hydroxy-2E-dodecen-11R-olide

Synonyms

LM ID

LMFA07040122

Formula

C₁₂H₂₀O₃

Exact Mass

Calculate m/z

212.141245

Sum Composition

FA 12:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Penicillium urticae (#29844)

Eurotiomycetes (#147545)

New macrolides from Penicillium urticae mutant S11R59.,
J Antibiot (Tokyo), 1986

Pubmed ID: 3733512

String Representations

InChiKey (Click to copy)

KANOICQRSIXTJU-OJLMFNQTSA-N

InChi (Click to copy)

InChI=1S/C12H20O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-11,13H,2-7H2,1H3/b9-8+/t10-,11+/m1/s1

SMILES (Click to copy)

C1(O[C@H](C)CCCCCC[C@H](O)C=C1)=O

Other Databases

PubChem CID

10398271

Calculated Physicochemical Properties

Heavy Atoms 15

Rings 1

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 224.89

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 2.76

Molar Refractivity 59.43

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Created at

22nd Jun 2020

Updated at