Structure Database (LMSD)

Common Name
13,14-dihydro-PGE1
Systematic Name
9-oxo-11R,15S-dihydroxy-prostanoic acid
Synonyms
  • 13,14-dihydro-Prostaglandin E1
LM ID
LMFA03010144
Formula
C20H36O5
Exact Mass
Calculate m/z
356.256275
Sum Composition
FA 20:2;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)
DPOINJQWXDTOSF-DODZYUBVSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Other Databases

HMDB ID
HMDB0002689
CHEBI ID
89310
LIPIDBANK ID
XPR1707
PubChem CID
161273
GuidePharm ID
1946

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 380.87
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.27
Molar Refractivity 98.36

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Created at
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Updated at
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