Structure Database (LMSD)

Common Name
1(3)-glyceryl-PGD2
Systematic Name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid 1(3)-glyceryl ester
Synonyms
  • PGD2-G
  • 1(3)-glyceryl-Prostaglandin D2
LM ID
LMFA03010184
Status
Active
Exact Mass
Calculate m/z
426.261755
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

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

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 445.07
Topological Polar Surface Area 124.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.49
Molar Refractivity 116.08

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Created at
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Updated at
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