Structure database (LMSD)

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LM IDLMFA03020009
Common NameLTF4
Systematic Name5S-hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid
SynonymsLeukotriene F4
Exact Mass
568.2818 (neutral)    Calculate m/z:
FormulaC28H44N2O8S
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLeukotrienes [FA0302]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Amino fatty acids[FA0110]
LIPIDBANK IDXPR3501
PubChem CID5280938
KEGG IDC06462
HMDB IDHMDB0006465
CHEBI ID27491
InChIKeyPYSODLWHFWCFLV-VJBFNVCUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)3
4)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,1
4-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-1
3+/t21-,22-,23-,24+/m0/s1
SMILESC(/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
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings0Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
582.67Topological Polar
Surface Area
187.25Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP5.09Molar
Refractivity
156.01