Structure Database (LMSD)

OH HO OH O OH O
Common Name
20-hydroxy-PGE1
Systematic Name
9-oxo-11R,15S,20-trihydroxy-13E-prostaenoic acid
Synonyms
  • 20-hydroxy-Prostaglandin E1
LM ID
LMFA03010232
Formula
C20H34O6
Exact Mass
Calculate m/z
370.23554
Sum Composition
FA 20:3;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LDUBDFDZFOQXGF-HTGUDJHRSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h11-12,15-17,19,21-22,24H,1-10,13-14H2,(H,25,26)/b12-11+/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCCO)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ovis aries (#9940)
Mammalia (#40674)
Isolation and biosynthesis of 20-hydroxyprostaglandins E1 and E2 in ram seminal fluid.,
J Biol Chem, 1986
Pubmed ID: 3087990

Other Databases

CHEBI ID
137526
PubChem CID
6443810

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 387.02
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.31
Molar Refractivity 100.16

Admin

Created at
7th Jul 2020
Updated at
7th Jul 2020