Structure Database (LMSD)

Common Name
11beta-PGF2alpha-EA
Systematic Name
N-(9S,11S,15S-trihydroxy-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
  • 11beta-PGF2alpha-ethanolamine
LM ID
LMFA03010208
Status
Active
Exact Mass
Calculate m/z
397.282824
Formula


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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)
XCVCLIRZZCGEMU-WMTHMIERSA-N
InChi (Click to copy)
InChI=1S/C22H39NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-21,24-27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-,21-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 423.83
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 3.50
Molar Refractivity 113.12

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Created at
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Updated at
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