Structure database (LMSD)

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LM IDLMFA01140092
Common NameLyngbyoic acid
Systematic Name3-((1R,2R)-2-heptylcyclopropyl)propanoic acid
Synonymstrans-3-(2-hexylcyclopropyl)-butanoic acid;Lyngbyoate
Exact Mass
212.1776 (neutral)    Calculate m/z:
FormulaC13H24O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
AbbrevFA 13:1
PubChem CID70698462
InChIKeyRLZULRFRISISCU-VXGBXAGGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C(CC[C@@H]1C[C@H]1CCCCCCC)(=O)O
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StatusActive
ReferencesLyngbyoic acid, a “tagged” fatty acid from a marine cyanobacterium, disrupts quorum sensing in Pseudomonas aeruginosa.
Mol Biosyst. 2011
DOI 10.1039/c0mb00180e
PMID: 21258753
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
236.04Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.85Molar
Refractivity
61.84