LIPID MAPS

Structure Database (LMSD)

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Common Name

11-Methyl-2Z,5Z-dodecadienoic acid

Systematic Name

11-Methyl-2Z,5Z-dodecadienoic acid

Synonyms

LM ID

LMFA01020442

Formula

C₁₃H₂₂O₂

Exact Mass

Calculate m/z

210.16198

Sum Composition

FA 13:2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Xanthomonas oryzae pv. oryzae (#64187)

Gammaproteobacteria (#1236)

Rice bacterial blight pathogen Xanthomonas oryzae pv. oryzae produces multiple DSF-family signals in regulation of virulence factor production.,
BMC Microbiol,, 2010

Pubmed ID: 20615263

DOI: 10.1186/1471-2180-10-187

String Representations

InChiKey (Click to copy)

QMMZSJPSPRTHGB-IVCPHRBRSA-N

InChi (Click to copy)

InChI=1S/C13H22O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h3,5,9,11-12H,4,6-8,10H2,1-2H3,(H,14,15)/b5-3-,11-9-

SMILES (Click to copy)

C(/C=C\C/C=C\CCCCC(C)C)(=O)O

Other Databases

PubChem CID

54596240

Calculated Physicochemical Properties

Heavy Atoms 15

Rings 0

Aromatic Rings 0

Rotatable Bonds 8

Van der Waals Molecular Volume 243.12

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 3.79

Molar Refractivity 63.84

Admin

Created at

17th Nov 2020

Updated at