Structure Database (LMSD)

Common Name
PGE1
Systematic Name
9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid
Synonyms
  • Prostaglandin E1
LM ID
LMFA03010134
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)
GMVPRGQOIOIIMI-DWKJAMRDSA-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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Other Databases

Wikipedia
PGE1
KEGG ID
C04741
HMDB ID
HMDB0001442
CHEBI ID
15544
LIPIDBANK ID
XPR1400
PubChem CID
5280723
SwissLipids ID
SLM:000390038
Cayman ID
13010
PDB ID
XPG
GuidePharm ID
1882

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 378.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.05
Molar Refractivity 98.26

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Created at
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Updated at
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