Structure Database (LMSD)
Common Name
Leukotriene D5
Systematic Name
5R-hydroxy-6S-(S-cysteinylglycinyl)-7E,9E,11Z,14Z,17Z-eicosapentenoic acid
Synonyms
- (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
3D model of Leukotriene D5
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bluetongue virus (serotype 10 / American isolate)
(#10900)
Resentoviricetes
(#2732459)
Conversion of 14C-labeled eicosapentaenoic acid (n-3) to leukotriene C5.,
Biochim Biophys Acta, 1981
Biochim Biophys Acta, 1981
Pubmed ID:
6111355
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)
[C@H](CS[C@@H](/C=C/C=C/C=C\C/C=C\C/C=C\CC)[C@H](O)CCCC(=O)O)(C(NCC(=O)O)=O)N
Other Databases
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
8
logP
4.63
Molar Refractivity
140.10
Admin
Created at
-
Updated at
11th Feb 2025