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11-trans Leukotriene E4

CAT: 0024-sc-204973Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-204973Size:25 µg
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CAS Number
75715-88-7

Chemical Information

11-trans-LTE4

11-trans-LTE4 is a leukotriene that is the 11-trans-isomer of leukotriene E4. It has a role as a metabolite. It is functionally related to an icosa-7,9,11,14-tetraenoic acid.

CAS Number75715-88-7
PubChem CID5283136
IUPAC Name(5S,6R,7E,9E,11E,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular FormulaC23H37NO5S
Molecular Weight439.6
XLogP2.1
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count30
Formal Charge0
Complexity586
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)N
InChI
InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1
InChIKey
OTZRAYGBFWZKMX-DVFCZEDWSA-N
Chemical Structure
2D Structure
2D structure of 11-trans-LTE4
CAS: 75715-88-7
CID: 5283136
Formula: C23H37NO5S
MW: 439.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass439.23924445
Monoisotopic Mass439.23924445
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-204971A11-trans Leukotriene C4
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sc-20497111-trans Leukotriene C4
sc-201050CLeukotriene E4
sc-201050Leukotriene E4
sc-201050BLeukotriene E4
sc-201050ALeukotriene E4
sc-221849Leukotriene E4-d5
sc-221849ALeukotriene E4-d5

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HY-113442A6-trans-Leukotriene B4
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MBS58146276-trans-12-epi-Leukotriene B4
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