Structure Database (LMSD)

Common Name
1-tauro-dinor-PGE1
Systematic Name
N-tauro-9,13-dihydroxy-7-oxo-dinorprosta-11-enoate
Synonyms
  • 1-tauro-dinor-Prostaglandin E1
  • Dinor PGE1 Taurine
LM ID
LMFA08020298
Formula
C20H35NO7S
Exact Mass
Calculate m/z
433.213426
Sum Composition
NAT 18:3;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Eicosanoids [FA03]
Prostaglandins [FA0301]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of novel metabolites of prostaglandin E2 formed by isolated rat hepatocytes.,
Arch Biochem Biophys,, 1997
Pubmed ID: 9143337

String Representations

InChiKey (Click to copy)
SPRDGEGWYYYJQP-CMMYYJDPSA-N
InChi (Click to copy)
InChI=1S/C20H35NO7S/c1-2-3-4-7-15(22)10-11-17-16(18(23)14-19(17)24)8-5-6-9-20(25)21-12-13-29(26,27)28/h10-11,15-17,19,22,24H,2-9,12-14H2,1H3,(H,21,25)(H,26,27,28)/b11-10+/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
C(CCCC[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)CC1=O)(=O)NCCS(O)(=O)=O

Other Databases

PubChem CID
101705080

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 425.32
Topological Polar Surface Area 141.00
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 4.01
Molar Refractivity 111.70

Admin

Created at
18th Nov 2020
Updated at
15th Feb 2024