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
Curated
3D model of Traumatic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Traumatic acid is a product of the hydroperoxide lyase pathway in plants. It is a wound healing agent that stimulates cell division near a wound site to form a protective callus.1
This information has been provided by Cayman Chemical
References
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
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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Created at
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Updated at
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