Structure Database (LMSD)

HO O O OH O
Common Name
13,14-dihydro-15-keto-PGE1
Systematic Name
9,15-dioxo-11R-hydroxy-prostanoic acid
Synonyms
  • 13,14-dihydro-15-keto-Prostaglandin E1
LM ID
LMFA03010145
Formula
C20H34O5
Exact Mass
Calculate m/z
354.240625
Sum Composition
FA 20:3;O3
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
CDUVSQMTLOYKTR-ZHALLVOQSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h16-17,19,23H,2-14H2,1H3,(H,24,25)/t16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(CCC(=O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

References

Other Databases

CHEBI ID
134499
LIPIDBANK ID
XPR1708
PubChem CID
165284

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.19
Molar Refractivity 96.84

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Created at
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Updated at
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