Structure Database (LMSD)

HO O OH HO
Common Name
PGF2alpha methyl ether
Systematic Name
1-methoxy-9S,11R,15S-trihydroxy-5Z,13E-prostadiene
Synonyms
  • Prostaglandin F2alpha methyl ether
LM ID
LMFA03010073
Formula
C21H38O4
Exact Mass
Calculate m/z
354.27701
Sum Composition
FA 21:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
VWEVSUSNDAHANL-GPPPFWBLSA-N
InChi (Click to copy)
InChI=1S/C21H38O4/c1-3-4-8-11-17(22)13-14-19-18(20(23)16-21(19)24)12-9-6-5-7-10-15-25-2/h6,9,13-14,17-24H,3-5,7-8,10-12,15-16H2,1-2H3/b9-6-,14-13+/t17-,18+,19+,20-,21+/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\CCCCOC

References

Other Databases

CHEBI ID
137215
LIPIDBANK ID
XPR1755
PubChem CID
5283074
Cayman ID
16014

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 389.38
Topological Polar Surface Area 69.92
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.75
Molar Refractivity 104.41

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Updated at
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