Structure Database (LMSD)

Common Name
cis-Jasmone
Systematic Name
3-methyl-2-(pent-2Z-enyl)cyclopent-2-enone
Synonyms
LM ID
LMFA02020009
Status
Active
Exact Mass
Calculate m/z
164.120115
Formula
C11H16O
Abbrev
FA 11:3;O
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Jasmonic acids [FA0202]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Oxo fatty acids [FA0106]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
XMLSXPIVAXONDL-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-
SMILES (Click to copy)
C1(C/C=C\CC)C(=O)CCC=1C

References

Other Databases

Wikipedia
Jasmone
KEGG ID
C08490
HMDB ID
HMDB0035601
CHEBI ID
6084
PubChem CID
1549018

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 187.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.02
Molar Refractivity 50.99

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Updated at
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