LIPID MAPS

Structure Database (LMSD)

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Common Name

20-carboxy-LTB4

Systematic Name

5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid

Synonyms

20-carboxy-Leukotriene B4

LM ID

LMFA03020016

Formula

C₂₀H₃₀O₆

Exact Mass

Calculate m/z

366.20424

Sum Composition

FA 20:5;O4

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

SXWGPVJGNOLNHT-VFLUTPEKSA-N

InChi (Click to copy)

InChI=1S/C20H30O6/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/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1

SMILES (Click to copy)

C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Stimulation of human leukocyte degranulation by leukotriene B4 and its omega-oxidized metabolites.,
FEBS Lett, 1981

Pubmed ID: 6274698

Other Databases

KEGG ID

C05950

HMDB ID

HMDB0006059

CHEBI ID

27562

LIPIDBANK ID

XPR3118

PubChem CID

5280877

SwissLipids ID

SLM:000501203

Cayman ID

20180

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 0

Aromatic Rings 0

Rotatable Bonds 15

Van der Waals Molecular Volume 391.46

Topological Polar Surface Area 115.06

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 3.80

Molar Refractivity 101.81

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