Structure Database (LMSD)

OH HO O OH OH HO
Common Name
20-hydroxy-PGF2alpha
Systematic Name
9S,11S,15S,20-tetrahydroxy-5Z,13E-prostadienoic acid
Synonyms
  • 20-hydroxy-Prostaglandin F2alpha
LM ID
LMFA03010029
Formula
C20H34O6
Exact Mass
Calculate m/z
370.23554
Sum Composition
FA 20:3;O4
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
XQXUYZDBZCLAQO-UNKHNRNISA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-19,21-24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,18-,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O

References

Other Databases

HMDB ID
HMDB04049
CHEBI ID
165322
LIPIDBANK ID
XPR1723
PubChem CID
5283040
Cayman ID
16950

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 387.02
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.16
Molar Refractivity 101.58

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Created at
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Updated at
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