Structure Database (LMSD)

Common Name
2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoic acid;
Systematic Name
2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoic acid;
Synonyms
  • 2-Hydroxy-8-(2-octyl-1-cyclopropenyl)-octanoic acid
  • 2-Hydroxy-8-(2-octyl-1-cyclopropenyl)-octanoic acid
  • alpha-Hydroxy-2-octyl-1-cyclopropene-1-octanoic acid
  • D-2-hydroxy-8-(2-octyl-1-cyclopropenyl)-octanoic acid
LM ID
LMFA01140051
Formula
C19H34O3
Exact Mass
Calculate m/z
310.250795
Sum Composition
FA 19:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
NIMPMJIXSJYVEO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h18,20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(O)(=O)C(O)CCCCCCC1CC=1CCCCCCCC

Other Databases

HMDB ID
HMDB0031060
CHEBI ID
172541
PubChem CID
131751126
PlantFA ID
10234

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 345.99
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.51
Molar Refractivity 91.49

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Created at
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Updated at
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