Structure Database (LMSD)
Common Name
Leukotriene D5
Systematic Name
(5R,6S,7E,9E,11Z,14Z,17Z)-6-{[(2R)-2-amino-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
Synonyms
3D model of Leukotriene D5
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RWLDHKGRPLNPBN-DSJHTHEWSA-N
InChi (Click to copy)
InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1
SMILES (Click to copy)
CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H]([C@@H](CCCC(=O)O)O)SC[C@@H](C(NCC(=O)O)=O)N
References
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
513.19
Topological Polar Surface Area
149.95
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
4.63
Molar Refractivity
140.10
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Created at
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Updated at
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