Structure Database (LMSD)

Common Name
Ketochaulmoogric acid
Systematic Name
13-(1-Cyclopentenyl)-3-oxo-tridecanoic acid
Synonyms
  • 13-(1-Cyclopentenyl)-3-keto-tridecanoic acid
LM ID
LMFA01140048
Formula
C18H30O3
Exact Mass
Calculate m/z
294.219495
Sum Composition
FA 18:3;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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
KZARRJOZVBLBIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c19-17(15-18(20)21)14-8-6-4-2-1-3-5-7-11-16-12-9-10-13-16/h12H,1-11,13-15H2,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CC(=O)CCCCCCCCCCC1CCCC=1

Other Databases

CHEBI ID
185293
PubChem CID
131839796
PlantFA ID
10519

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.05
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.04
Molar Refractivity 85.36

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Updated at
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