Structure Database (LMSD)

Common Name
11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid
Systematic Name
11-hydroxy-4-methyl-2E,4E,6E-dodecatrienoic acid
Synonyms
  • 4-methyl-11-hydroxy-2E,4E,6E-dodecatrienoic acid
LM ID
LMFA01020413
Status
Active
Exact Mass
Calculate m/z
224.141245
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XUQIFDLHGYJREE-HLTZDAHQSA-N
InChi (Click to copy)
InChI=1S/C13H20O3/c1-11(9-10-13(15)16)7-5-3-4-6-8-12(2)14/h3,5,7,9-10,12,14H,4,6,8H2,1-2H3,(H,15,16)/b5-3+,10-9+,11-7+
SMILES (Click to copy)
C(/C=C/C(/C)=C/C=C/CCCC(O)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mucor sp. (#1715236)
Mucoromycetes (#2212703)
Fatty acids, fatty acid analogues and their derivatives,
Nat Prod Rep, 1998

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 249.27
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.97
Molar Refractivity 65.72

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Created at
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Updated at
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