Structure Database (LMSD)

Common Name
PGD2-EA
Systematic Name
N-(9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoyl)-ethanolamine
Synonyms
  • Prostaglandin D2-EA
  • Prostamide-D2
  • PMD2
LM ID
LMFA03010152
Status
Active
Exact Mass
Calculate m/z
395.267174
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)
KEYDJKSQFDUAGF-YIRKRNQHSA-N
InChi (Click to copy)
InChI=1S/C22H37NO5/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/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 421.19
Topological Polar Surface Area 106.86
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.42
Molar Refractivity 111.61

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Created at
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Updated at
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