Structure Database (LMSD)
Common Name
Lipoxin D4
Systematic Name
5S,15S-dihydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
- LXD4
3D model of Lipoxin D4
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)
UBZUEDFBRKNTOQ-VPZYMNCUSA-N
InChi (Click to copy)
InChI=1S/C25H40N2O7S/c1-2-3-8-12-19(28)13-9-6-4-5-7-10-15-22(21(29)14-11-16-23(30)31)35-18-20(26)25(34)27-17-24(32)33/h4-7,9-10,13,15,19-22,28-29H,2-3,8,11-12,14,16-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b6-4-,7-5+,13-9+,15-10+/t19-,20-,21-,22+/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(O)=O)N)[C@H](CCCC(O)=O)O)=C/C=C/[C@@H](O)CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
524.62
Topological Polar Surface Area
170.18
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
7
logP
4.11
Molar Refractivity
142.10
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Created at
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Updated at
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