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

Main

Classification

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
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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