Structure Database (LMSD)

HO OH O OH HO
Common Name
PGF1beta
Systematic Name
9R,11R,15S-trihydroxy-13E-prostaenoic acid
Synonyms
  • Prostaglandin F1beta
LM ID
LMFA03010069
Formula
C20H36O5
Exact Mass
Calculate m/z
356.256275
Sum Composition
FA 20:2;O3
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Prostaglandins [FA0301]

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
165335
LIPIDBANK ID
XPR1751
PubChem CID
5283070
Cayman ID
15410

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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