Structure Database (LMSD)
Common Name
14,15-LTD4
Systematic Name
15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
Synonyms
- 14,15-Leukotriene D4
- EXD4
3D model of 14,15-LTD4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
BUTLPEVGZIRJOA-SPCGXPCUSA-N
InChi (Click to copy)
InChI=1S/C25H40N2O6S/c1-2-3-12-15-21(28)22(34-19-20(26)25(33)27-18-24(31)32)16-13-10-8-6-4-5-7-9-11-14-17-23(29)30/h4,6-10,13,16,20-22,28H,2-3,5,11-12,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b6-4-,9-7-,10-8+,16-13+/t20-,21-,22+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
515.83
Topological Polar Surface Area
149.95
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
4.86
Molar Refractivity
140.20
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Created at
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Updated at
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