Structure Database (LMSD)

HO O OH OH HO
Common Name
PGF2beta
Systematic Name
9R,11R,15S-trihydroxy-5Z,13E-prostadienoic acid
Synonyms
  • Prostaglandin F2beta
LM ID
LMFA03010025
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240625
Sum Composition
FA 20:3;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)
PXGPLTODNUVGFL-JZFBHDEDSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/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]1C/C=C\CCCC(=O)O

References

Other Databases

KEGG ID
C02314
HMDB ID
HMDB0001483
CHEBI ID
28922
LIPIDBANK ID
XPR1764
PubChem CID
5280506
Cayman ID
16410

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.90
Molar Refractivity 99.68

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Created at
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Updated at
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