Structure Database (LMSD)

Common Name
LTF4
Systematic Name
5S-hydroxy-6R-(S-glutamylcysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
  • Leukotriene F4
LM ID
LMFA03020009
Status
Active
Exact Mass
Calculate m/z
568.28184
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3501
PubChem CID

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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