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
Status
Active
Exact Mass
Calculate m/z
625.303304
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID

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 9
logP 4.49
Molar Refractivity 169.51

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Updated at
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