Structure Database (LMSD)
Common Name
LTC4
Systematic Name
5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms
- Leukotriene C4
3D model of LTC4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
GWNVDXQDILPJIG-NXOLIXFESA-N
InChi (Click to copy)
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
SMILES (Click to copy)
C(=O)(NCC(O)=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCCC
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
XPR3201
PubChem CID
SwissLipids ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
634.42
Topological Polar Surface Area
216.35
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
12
logP
4.49
Molar Refractivity
169.51
Admin
Created at
-
Updated at
14th May 2021