Structure Database (LMSD)

OH O O H
Common Name
Traumatin
Systematic Name
12-oxo-10E-dodecenoic acid
Synonyms
LM ID
LMFA01060093
Formula
C12H20O3
Exact Mass
Calculate m/z
212.141245
Sum Composition
FA 12:2;O
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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
INMKWUNQKOWGEZ-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)/b9-7+
SMILES (Click to copy)
C(CCCCCCCC/C=C/C([H])=O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaseolus vulgaris (#3885)
Magnoliopsida (#3398)
Identification of Traumatin, a Wound Hormone, as 12-Oxo-trans-10-dodecenoic Acid.,
Plant Physiol, 1979
Pubmed ID: 16660762

Other Databases

Wikipedia
Traumatin
LIPIDAT ID
5970
KEGG ID
C16309
HMDB ID
HMDB0037326
CHEBI ID
19144
PubChem CID
5312889

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 234.61
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.95
Molar Refractivity 59.78

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Updated at
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