Structure Database (LMSD)

Common Name
Traumatic acid
Systematic Name
2E-dodecenedioic acid
Synonyms
  • trans-2-dodecenedioic acid
  • trans-Traumatic acid
LM ID
LMFA01170002
Status
Active
Exact Mass
Calculate m/z
228.13616
Formula
C12H20O4
Abbrev
FA 12:2;O2
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]

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
Traumatic acid
KEGG ID
C16308
HMDB ID
HMDB0000933
CHEBI ID
545687
LIPIDBANK ID
DFA8160
PubChem CID
5283028
PlantFA ID
10243
Cayman ID
88820

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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