Structure Database (LMSD)
Common Name
PGB2
Systematic Name
15S-hydroxy-9-oxo-5Z,8(12),13E-prostatrienoic acid
Synonyms
- Prostaglandin B2
LM ID
LMFA03010018
Formula
Exact Mass
Calculate m/z
334.21441
Sum Composition
Status
Curated
3D model of PGB2
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Prostaglandin B2 (PGB2) is a non-enzymatic dehydration product resulting from the treatment of PGE2 or PGA2 with strong base. It has weak agonist activity on TP receptors and can increase pulmonary blood pressure in the rabbit at relatively high doses (5 µg/kg).1
This information has been provided by Cayman Chemical
References
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
PRFXRIUZNKLRHM-HKVRTXJWSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
SMILES (Click to copy)
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1C/C=C\CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
364.16
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.63
Molar Refractivity
96.31
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Updated at
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