Structure Database (LMSD)

Common Name
Tetranor-PGD1
Systematic Name
2,3,4,5-tetranor-9S,15S-dihydroxy-11-oxo-13E-prostenoic acid
Synonyms
  • Tetranor-PGD2
LM ID
LMFA03010215
Formula
C16H26O5
Exact Mass
Calculate m/z
298.178025
Sum Composition
FA 16:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
WWXNENYSZDYEHL-GLANRUKVSA-N
InChi (Click to copy)
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,11-13,15,17,19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t11-,12+,13+,15-/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)C[C@H](O)[C@@H]1CCC(=O)O

Other Databases

CHEBI ID
165342
PubChem CID
52921880

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 309.03
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.49
Molar Refractivity 79.79

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Updated at
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