Structure Database (LMSD)

Common Name
14,15-dehydro-LTB4
Systematic Name
5S,12R-dihydroxy-6Z,8E,10E-eicosatriene-14-ynoic acid
Synonyms
  • 14,15-dehydro-Leukotriene B4
LM ID
LMFA03020017
Status
Active
Exact Mass
Calculate m/z
334.21441
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)
PRCVOEPTHWOJMX-CHHAPGPYSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,14-10+,15-11-/t18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)C#CCCCCC

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR3119
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.18
Molar Refractivity 98.48

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Created at
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Updated at
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