Structure Database (LMSD)

Common Name
11-trans-LTC4
Systematic Name
5S-hydroxy-6R-(S-glutathionyl)-7E,9E,11E,14Z-eicosatetraenoic acid
Synonyms
  • 11-trans-Leukotriene C4
LM ID
LMFA03020020
Formula
C30H47N3O9S
Exact Mass
Calculate m/z
625.303304
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Leukotrienes [FA0302]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
GWNVDXQDILPJIG-CCHJCNDSSA-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(/C/C=C\CCCCC)=C\C=C\C=C\[C@@H](SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O

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
Pubmed ID: 20671299
Mus musculus (#10090)
Mammalia (#40674)
11-Trans leukotriene C: a naturally occurring slow reacting substance.,
Biochem Biophys Res Commun, 1980
Pubmed ID: 6772184

Other Databases

HMDB ID
HMDB0001198
CHEBI ID
88515
LIPIDBANK ID
XPR3202
PubChem CID
5283134

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

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Created at
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Updated at
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