Structure Database (LMSD)

HO HO HO O HO O OH
Common Name
2-glyceryl-PGF2alpha
Systematic Name
9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid 2-glyceryl ester
Synonyms
  • 2-glyceryl-Prostaglandin F2alpha
LM ID
LMFA03010182
Formula
C23H40O7
Exact Mass
Calculate m/z
428.277405
Sum Composition
FA 23:3;O5
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)
MCKWHVMNQVXLMH-PKBBWAGBSA-N
InChi (Click to copy)
InChI=1S/C23H40O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-22,24-28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,21-,22+/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(OC(CO)CO)=O

References

Other Databases

CHEBI ID
137178
PubChem CID
10274197

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 447.71
Topological Polar Surface Area 127.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.57
Molar Refractivity 117.59

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Created at
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Updated at
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