Structure Database (LMSD)

Common Name
11-deoxy-PGF1b
Systematic Name
9R,15S-dihydroxy-13E-prostaenoic acid
Synonyms
  • 11-deoxy-Prostaglandin F1b
LM ID
LMFA03010070
Status
Active
Exact Mass
Calculate m/z
340.26136
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)
HYBPXYQCXNOTFK-JLNUFZAQSA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)CC[C@@H](O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
XPR1752
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 372.08
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.87
Molar Refractivity 97.87

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Created at
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Updated at
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