Structure Database (LMSD)

Common Name
20-COOH-10,11-dihydro-LTB4
Systematic Name
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienedioic acid
Synonyms
LM ID
LMFA03020059
Status
Active
Exact Mass
Calculate m/z
368.21989
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)
BCZGHMCTSJAJRR-NSBXBVANSA-N
InChi (Click to copy)
InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,13-8-/t17-,18-/m0/s1
SMILES (Click to copy)
O[C@@H](C/C=C\CCCCC(=O)O)CC/C=C/C=C\[C@@H](CCCC(=O)O)O

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 394.10
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.02
Molar Refractivity 101.90

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Created at
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Updated at
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