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Leukotriene F4

CAT: 0013-GTR19190176-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190176-01Size:25 µg
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Description
LTF4 is a cysteinyl-leukotriene generated in vitro from LTE4 via γ-glutamyl transpeptidase and glutathione. It acts as a weak vascular smooth muscle contractor, with a potency order of LTD4 > LTC4 > LTE4 >> LTF4, and serves as a research tool for studying leukotriene metabolism and receptor pharmacology.
CAS Number
83851-42-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
[C@H] (SC[C@H] (NC (CC[C@@H] (C (O) =O) N) =O) C (O) =O) ([C@H] (CCCC (O) =O) O) /C=C/C=C/C=C\C/C=C\CCCCC
Molecular Formula
C28H44N2O8S
Molecular Weight
568.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Leukotriene F4

Leukotriene F4 is a leukotriene composed of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid having (5S)-hydroxy and (6R)-(L-gamma-glutamyl-L-cystein-S-yl) substituents. It has a role as a human metabolite. It is an organic sulfide, a leukotriene and a dipeptide. It is functionally related to an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene F4(2-).

CAS Number83851-42-7
PubChem CID5280938
IUPAC Name(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular FormulaC28H44N2O8S
Molecular Weight568.7
XLogP1.3
Topological Polar Surface Area213
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Heavy Atom Count39
Formal Charge0
Complexity857
SMILES
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
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
InChIKey
PYSODLWHFWCFLV-VJBFNVCUSA-N
Chemical Structure
2D Structure
2D structure of Leukotriene F4
CAS: 83851-42-7
CID: 5280938
Formula: C28H44N2O8S
MW: 568.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP31.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass568.28183754
Monoisotopic Mass568.28183754
Topological Polar Surface Area213 Ų
Heavy Atom Count39
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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