Structure Database (LMSD)
Common Name
Traumatic acid
Systematic Name
2E-dodecenedioic acid
Synonyms
- trans-2-dodecenedioic acid
- trans-Traumatic acid
LM ID
LMFA01170002
Formula
Exact Mass
Calculate m/z
228.13616
Sum Composition
Status
Active
3D model of Traumatic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MAZWDMBCPDUFDJ-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+
SMILES (Click to copy)
C(CC(=O)O)CCCCCC/C=C/C(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Phaseolus vulgaris
(#3885)
Magnoliopsida
(#3398)
STRUCTURE AND SYNTHESIS OF A PLANT WOUND HORMONE.,
Science, 1939
Science, 1939
Pubmed ID:
17791417
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA8160
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
243.40
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
2.83
Molar Refractivity
61.35
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Updated at
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