LIPID MAPS

Structure Database (LMSD)

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Common Name

KH01-A

Systematic Name

4-hydroxy-11-oxo-10-methyldodecan-4-olide

Synonyms

LM ID

LMFA07040179

Formula

C₁₃H₂₂O₃

Exact Mass

Calculate m/z

226.156895

Sum Composition

FA 13:2;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Streptomyces rochei (#1928)

Actinomycetes (#1760)

Three 4-monosubstituted butyrolactones from a regulatory gene mutant of Streptomyces rochei 7434AN4.,
J Biosci Bioeng, 2022

Pubmed ID: 35123882

String Representations

InChiKey (Click to copy)

JCBVCOYNLDBRIC-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C13H22O3/c1-10(11(2)14)6-4-3-5-7-12-8-9-13(15)16-12/h10,12H,3-9H2,1-2H3

SMILES (Click to copy)

C(C1CCC(=O)O1)CCCCC(C)C(=O)C

Other Databases

PubChem CID

171120410

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 1

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 242.19

Topological Polar Surface Area 45.44

Hydrogen Bond Donors

Hydrogen Bond Acceptors 3

logP 3.15

Molar Refractivity 62.56

Admin

Created at

10th Mar 2022

Updated at