Structure Database (LMSD)

Common Name
12-keto-10,11,14,15-tetrahydro-LTB4
Systematic Name
5S-hydroxy-12-keto-6Z,8E-eicosadienoic acid
Synonyms
  • 12-keto-10,11,14,15-tetrahydro-Leukotriene B4
LM ID
LMFA03020004
Status
Active
Exact Mass
Calculate m/z
338.24571
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
RRTYEHFGQWNQKK-KIQAWMAPSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1
SMILES (Click to copy)
C(C(=O)CC/C=C/C=C\[C@@H](O)CCCC(O)=O)CCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sus scrofa (#9823)
Mammalia (#40674)
Enzymatic inactivation of leukotriene B4 by a novel enzyme found in the porcine kidney. Purification and properties of leukotriene B4 12-hydroxydehydrogenase.,
J Biol Chem, 1993
Pubmed ID: 8394361

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3112
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 379.16
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.10
Molar Refractivity 98.52

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Created at
-
Updated at
21st Apr 2022