Structure Database (LMSD)

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

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

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

Admin

Created at
22nd Jun 2020
Updated at
22nd Jun 2020