Structure Database (LMSD)

Common Name
14,15-LTC4
Systematic Name
15S-hydroxy-14R-(S-glutathionyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
Synonyms
  • 14,15-Leukotriene C4
  • EXC4
LM ID
LMFA03020031
Formula
Exact Mass
Calculate m/z
625.303304
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
On the biosynthesis and biological role of eoxins and 15-lipoxygenase-1 in airway inflammation and Hodgkin lymphoma.,
Prostaglandins Other Lipid Mediat, 2009
Pubmed ID: 19130894

String Representations

InChiKey (Click to copy)
OBQVBASHEWLKCQ-PKBWNXTMSA-N
InChi (Click to copy)
InChI=1S/C30H47N3O9S/c1-2-3-12-15-24(34)25(16-13-10-8-6-4-5-7-9-11-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h4,6-10,13,16,22-25,34H,2-3,5,11-12,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b6-4-,9-7-,10-8+,16-13+/t22-,23-,24-,25+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(O)=O)[C@@H](O)CCCCC)(=O)O

Other Databases

CHEBI 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 12
logP 4.49
Molar Refractivity 169.51

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Created at
-
Updated at
14th May 2021