Structure Database (LMSD)

Common Name
1(3)-glyceryl-PGH2
Systematic Name
9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
Synonyms
  • PGH2-G
  • 1(3)-glyceryl-Prostaglandin H2
LM ID
LMFA03010190
Status
Active
Exact Mass
Calculate m/z
426.261755
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ITTYJJFCGKAYRE-OMVDPNNKSA-N
InChi (Click to copy)
InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21-14-22(20)30-29-21)10-7-4-5-8-11-23(27)28-16-18(26)15-24/h4,7,12-13,17-22,24-26H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,21-,22+/m0/s1
SMILES (Click to copy)
OCC([H])(O)COC(=O)CCC/C=C\C[C@H]1[C@H]2OO[C@@H]([C@@H]1/C=C/[C@@H](O)CCCCC)C2

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 435.35
Topological Polar Surface Area 109.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.55
Molar Refractivity 115.32

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Created at
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Updated at
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