Structure Database (LMSD)

OH O
Common Name
Lyngbyoic acid
Systematic Name
3-((1R,2R)-2-heptylcyclopropyl)propanoic acid
Synonyms
  • trans-3-(2-hexylcyclopropyl)-butanoic acid
  • Lyngbyoate
LM ID
LMFA01140092
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
FA 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
RLZULRFRISISCU-VXGBXAGGSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1
SMILES (Click to copy)
C(CC[C@@H]1C[C@H]1CCCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lyngbya majuscula (#158786)
Lyngbyoic acid, a "tagged" fatty acid from a marine cyanobacterium, disrupts quorum sensing in Pseudomonas aeruginosa.,
Mol Biosyst, 2011
Pubmed ID: 21258753

Other Databases

PubChem CID
70698462

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 236.04
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.85
Molar Refractivity 61.84

Admin

Created at
31st Mar 2020
Updated at
1st Apr 2020