Structure Database (LMSD)

Common Name
PGF1beta
Systematic Name
9R,11R,15S-trihydroxy-13E-prostaenoic acid
Synonyms
  • Prostaglandin F1beta
LM ID
LMFA03010069
Status
Active
Exact Mass
Calculate m/z
356.256275
Formula
Abbrev



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)
DZUXGQBLFALXCR-JQXWHSLNSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1751
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.13
Molar Refractivity 99.77

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Created at
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Updated at
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