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LM ID | LMFA03020016 |
Common Name | 20-carboxy-LTB4 |
Systematic Name | 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid |
Synonyms | 20-carboxy-Leukotriene B4 |
Exact Mass | |
Formula | C20H30O6 |
Category | Fatty Acyls [FA] |
Main Class | Eicosanoids [FA03] |
Sub Class | Leukotrienes [FA0302] |
Alternative Classes | Unsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105] |
LIPIDBANK ID | XPR3118 |
PubChem CID | 5280877 |
KEGG ID | C05950 |
HMDB ID | HMDB0006059 |
CHEBI ID | 27562 |
SWISSLIPIDS ID | SLM:000501203 |
CAYMAN ID | 20180 |
InChIKey | SXWGPVJGNOLNHT-VFLUTPEKSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-2 0(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 | C([C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(O)=O)/C=C\CCCCC(=O)O |
MS Standard | View lipid standard |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 26 | Rings | 0 | Aromatic Rings | 0 | Rotatable Bonds | 15 |
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| van der Waals Molecular Volume | 391.46 | Topological Polar Surface Area | 115.06 | Hydrogen Bond Donors | 4 | Hydrogen Bond Acceptors | 6 |
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| logP | 3.80 | Molar Refractivity | 101.81 | | | | |
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