Structure Database (LMSD)

OH S N H O O NH 2 OH OH O
Common Name
14,15-LTD4
Systematic Name
15S-hydroxy,14R-(S-cysteinylglycinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid
Synonyms
  • 14,15-Leukotriene D4
  • EXD4
LM ID
LMFA03020032
Formula
Exact Mass
Calculate m/z
496.26071
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
BUTLPEVGZIRJOA-SPCGXPCUSA-N
InChi (Click to copy)
InChI=1S/C25H40N2O6S/c1-2-3-12-15-21(28)22(34-19-20(26)25(33)27-18-24(31)32)16-13-10-8-6-4-5-7-9-11-14-17-23(29)30/h4,6-10,13,16,20-22,28H,2-3,5,11-12,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b6-4-,9-7-,10-8+,16-13+/t20-,21-,22+/m0/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCCC)(=O)O

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

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 515.83
Topological Polar Surface Area 149.95
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 4.86
Molar Refractivity 140.20

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Updated at
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