Structure Database (LMSD)

Common Name
11-methyl-2Z-dodecenoic acid
Systematic Name
11-methyl-dodec-2Z-enoic Acid
Synonyms
  • (2Z)-11-Methyl-2-dodecenoic acid
LM ID
LMFA01020425
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Xanthomonas campestris pv. campestris (#340)
Gammaproteobacteria (#1236)
A bacterial cell-cell communication signal with cross-kingdom structural analogues.,
Mol Microbiol, 2004
Pubmed ID: 14731288

String Representations

InChiKey (Click to copy)
SNTXNGAQYNSTHI-LUAWRHEFSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h9,11-12H,3-8,10H2,1-2H3,(H,14,15)/b11-9-
SMILES (Click to copy)
C(=C/CCCCCCCC(C)C)/C(=O)O

Other Databases

KEGG ID
C18206
CHEBI ID
81585
PubChem CID
11469920
Cayman ID
10008123

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.01
Molar Refractivity 63.93

Admin

Created at
8th Jul 2019
Updated at
8th Jul 2019