Structure Database (LMSD)

O OH S OH HN O NH 2 OH O O OH
Common Name
LTF4
Systematic Name
5S-hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • Leukotriene F4
LM ID
LMFA03020009
Formula
C28H44N2O8S
Exact Mass
Calculate m/z
568.28184
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
PYSODLWHFWCFLV-VJBFNVCUSA-N
InChi (Click to copy)
InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
SMILES (Click to copy)
C(/C/C=C\CCCCC)=C/C=C/C=C/[C@@H](SC[C@H](NC(CC[C@@H](C(=O)O)N)=O)C(=O)O)[C@@H](O)CCCC(O)=O

References

Other Databases

KEGG ID
C06462
HMDB ID
HMDB0006465
CHEBI ID
27491
LIPIDBANK ID
XPR3501
PubChem CID
5280938

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 582.67
Topological Polar Surface Area 187.25
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 5.09
Molar Refractivity 156.01

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Created at
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Updated at
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