Structure Database (LMSD)
Common Name
Lipoxin C4
Systematic Name
5S,15S-dihydroxy-6R-(S-glutathionyl)-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
- LXC4
- 15(S)-hydroxy-Delta(13)-trans-leukotriene C3
- 15-OH-LTC3
3D model of Lipoxin C4
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)
CYCIJLWHNZKKBC-MTFYIJSJSA-N
InChi (Click to copy)
InChI=1S/C30H47N3O10S/c1-2-3-8-12-21(34)13-9-6-4-5-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h4-7,9-10,13,15,21-25,34-35H,2-3,8,11-12,14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,7-5+,13-9+,15-10+/t21-,22-,23-,24-,25+/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O)[C@H](CCCC(O)=O)O)=C/C=C/[C@@H](O)CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
643.21
Topological Polar Surface Area
236.58
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
10
logP
3.75
Molar Refractivity
171.41
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Created at
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Updated at
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