Structure Database (LMSD)

Common Name
19R-hydroxy-PGE1
Systematic Name
9-oxo-11R,15S,19R-trihydroxy-13E-prostaenoic acid
Synonyms
  • 19(R)-hydroxy-Prostaglandin E1
LM ID
LMFA03010147
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

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
19-Hydroxyprostaglandin E1 as a major component of the semen of primates.,
Nature, 1976
Pubmed ID: 817207

String Representations

InChiKey (Click to copy)
QVVXWHIDRKRPMO-VOSXNNSYSA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15+,16-,17-,19-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCC[C@H](O)C)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Other Databases

CHEBI ID
165312
LIPIDBANK ID
XPR1710
PubChem CID
5283115
Cayman ID
13910

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
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

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Updated at
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