Serotonin

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'''Serotonin'''
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Pubchem(5202)
 +
A biochemical messenger and regulator, synthesized from the essential amino acid L-TRYPTOPHAN. In humans it is found primarily in the central nervous system, gastrointestinal tract, and blood platelets. Serotonin mediates several important physiological functions including neurotransmission, gastrointestinal motility, hemostasis, and cardiovascular integrity. Multiple receptor families (RECEPTORS, SEROTONIN) explain the broad physiological actions and distribution of this biochemical mediator.
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<table align='right' border=1>
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'''KEGG Pathway'''(C00780)
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<tr><td>
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*Tryptophan metabolism
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<jmol><jmolApplet>
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*Neuroactive ligand-receptor interaction
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<size>200</size>
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*Gap junction
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<script>spin on;color atoms amino;</script>
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*Serotonin receptor agonists/antagonists
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<uploadedFileContents>NPH330.SDF</uploadedFileContents>
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{| border="1;width:100%; height:200px;style=text-align:center"
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<color>black</color>
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|+'''List of PDB files having estriol as a Ligand:'''
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</jmolApplet>
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|-
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</jmol>
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! style="background:brown; color:white" |MMDB ID
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</td></tr></table>
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! style="background:brown; color:white" |PDB ID
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==Description==
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! style="background:brown; color:white" |Reference
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A biochemical messenger and regulator, synthesized from the essential  amino acid L-TRYPTOPHAN. In humans it is found primarily in the  central nervous system, gastrointestinal tract, and blood platelets.   Serotonin mediates several important physiological functions including  neurotransmission, gastrointestinal motility, hemostasis, and   cardiovascular integrity. Multiple receptor families (RECEPTORS,   SEROTONIN) explain the broad physiological actions and distribution of   this biochemical mediator.
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|-
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==General Properties==
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|59445
 +
|2QEH
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|Mans BJ, Calvo E, Ribeiro JM, Andersen JFThe Crystal Structure of D7r4, a Salivary Biogenic Amine-binding Protein from the Malaria Mosquito Anopheles gambiaeJ. Biol. Chem. v282, p.36626-36633
 +
|-
 +
|63512
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|3BRN
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|Mans BJ, Ribeiro JM, Andersen JFStructure, function, and evolution of biogenic amine-binding proteins in soft ticksJ. Biol. Chem. v283, p.18721-18733
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|-
 +
|}
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{| border="1;width:100%; height:200px;style=text-align:center"
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|+'''Physiochemical properties of Estriol:'''
 +
|-
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! style="background:brown; color:white" |Physical Property
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! style="background:brown; color:white" |Value
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! style="background:brown; color:white" |Units
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! style="background:brown; color:white" |Temp (deg C)
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! style="background:brown; color:white" |Source
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|-
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|Melting Point
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|167.5
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|deg C
 +
|
 +
|EXP
 +
|-
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|pKa Dissociation Constant
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|9.97
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|(none)
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|25
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|EXP
 +
|-
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|log P (octanol-water)
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|0.21
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|(none)
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|  
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|EXP
 +
|-
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|Water Solubility
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|2.00E+04
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|mg/L
 +
|27
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|EXP
 +
|-
 +
|Vapor Pressure
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|1.91E-06
 +
|mm Hg
 +
|25
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|EST
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|-
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|Henry's Law Constant
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|1.39E-14
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|atm-m3/mole
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|25
 +
|EST
 +
|-
 +
|Atmospheric OH Rate Constant
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|2.33E-10
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|cm3/molecule-sec
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|25
 +
|EST
 +
|-
 +
|}
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{| border="1;width:100%; height:200px;style=text-align:center"
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|+'''Toxicity:'''
 +
|-
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! style="background:brown; color:white" |Organism
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! style="background:brown; color:white" |Test Type 
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! style="background:brown; color:white" |Route 
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! style="background:brown; color:white" |Reported Dose (Normalized Dose)
 +
! style="background:brown; color:white" |Effect
 +
! style="background:brown; color:white" |Source
 +
|-
 +
|cat
 +
|LDLo
 +
|intravenous
 +
|5mg/kg (5mg/kg)
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|CARDIAC: OTHER CHANGES
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<b>*Molecular Weight</b>
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LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
 +
|Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
 +
|-
 +
|guinea pig
 +
|LD50
 +
|intravenous
 +
|12800ug/kg (12.8mg/kg)
 +
| 
 +
|Archives Internationales de Pharmacodynamie et de Therapie. Vol. 168, Pg. 373, 1967.
 +
|-
 +
|mouse
 +
|LD50
 +
|intramuscular
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|750mg/kg (750mg/kg)  
 +
|
 +
|Archives Internationales de Pharmacodynamie et de Therapie. Vol. 112, Pg. 319, 1957.
 +
|-
 +
|mouse
 +
|LD50
 +
|intraperitoneal
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|160mg/kg (160mg/kg)
 +
| 
 +
|Indian Journal of Physiology and Pharmacology. Vol. 17, Pg. 31, 1973.
 +
|-
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|mouse
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|LD50
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|intravenous
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|81mg/kg (81mg/kg)
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|BEHAVIORAL: TREMOR
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176.22
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BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
 +
|Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
 +
|-
 +
|mouse
 +
|LD50
 +
|oral
 +
|60mg/kg (60mg/kg)  
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|Meditsinskii Zhurnal Uzbekistana. Vol. (3), Pg. 61, 1985.
 +
|-
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|mouse
 +
|LD50
 +
|subcutaneous
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|601mg/kg (601mg/kg)
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|BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
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<b>*Molecular Formula</b>
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BEHAVIORAL: ATAXIA
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C<sub>1</sub><sub>0</sub>H<sub>1</sub><sub>2</sub>N<sub>2</sub>O
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GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
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|Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
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<b>*IUPAC NAME</b>
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|-
-
 
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|mouse
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3-(2-aminoethyl)-1H-indol-5-ol
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|LD50
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|unreported
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<b>*Canonical Smiles</b>
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|250mg/kg (250mg/kg)  
-
 
+
|  
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C1=CC2=C(C=C1O)C(=CN2)CCN
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|"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 122, 1982.
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+
|-
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<b>*Isomeric Smiles</b>
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|rat
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|LD50
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|intravenous
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|30mg/kg (30mg/kg)
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| 
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==PhysioChemical Properties==
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|Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
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|-
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<b>*Melting Point</b>
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|rat
-
 
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|LD50
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167.5(EXP)
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|subcutaneous
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|285mg/kg (285mg/kg)  
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<b>*LogP</b>
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|
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|Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
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0.21(EXP)
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|-
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|}
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<b>*Water Solubility</b>
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2.00E+04(EXP)
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-
 
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5202]Pubchem
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*[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=2QEH]]2QEH,[[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=3BRN]]3BRN,
+
-
*[http://www.genome.jp/dbget-bin/www_bget?compound+C00780]KEGG Compound
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*[http://www.hmdb.ca/metabolites/HMDB00259]Human Metabolome DataBase
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[[Categories:Hormones]]
+

Revision as of 07:12, 13 February 2009

Serotonin Pubchem(5202)

A biochemical messenger and regulator, synthesized from the essential amino acid L-TRYPTOPHAN. In humans it is found primarily in the central nervous system, gastrointestinal tract, and blood platelets. Serotonin mediates several important physiological functions including neurotransmission, gastrointestinal motility, hemostasis, and cardiovascular integrity. Multiple receptor families (RECEPTORS, SEROTONIN) explain the broad physiological actions and distribution of this biochemical mediator.

KEGG Pathway(C00780)

  • Tryptophan metabolism
  • Neuroactive ligand-receptor interaction
  • Gap junction
  • Serotonin receptor agonists/antagonists
List of PDB files having estriol as a Ligand:
MMDB ID PDB ID Reference
59445 2QEH Mans BJ, Calvo E, Ribeiro JM, Andersen JFThe Crystal Structure of D7r4, a Salivary Biogenic Amine-binding Protein from the Malaria Mosquito Anopheles gambiaeJ. Biol. Chem. v282, p.36626-36633
63512 3BRN Mans BJ, Ribeiro JM, Andersen JFStructure, function, and evolution of biogenic amine-binding proteins in soft ticksJ. Biol. Chem. v283, p.18721-18733
Physiochemical properties of Estriol:
Physical Property Value Units Temp (deg C) Source
Melting Point 167.5 deg C EXP
pKa Dissociation Constant 9.97 (none) 25 EXP
log P (octanol-water) 0.21 (none) EXP
Water Solubility 2.00E+04 mg/L 27 EXP
Vapor Pressure 1.91E-06 mm Hg 25 EST
Henry's Law Constant 1.39E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.33E-10 cm3/molecule-sec 25 EST
Toxicity:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 5mg/kg (5mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
guinea pig LD50 intravenous 12800ug/kg (12.8mg/kg) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 168, Pg. 373, 1967.
mouse LD50 intramuscular 750mg/kg (750mg/kg) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 112, Pg. 319, 1957.
mouse LD50 intraperitoneal 160mg/kg (160mg/kg) Indian Journal of Physiology and Pharmacology. Vol. 17, Pg. 31, 1973.
mouse LD50 intravenous 81mg/kg (81mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
mouse LD50 oral 60mg/kg (60mg/kg) Meditsinskii Zhurnal Uzbekistana. Vol. (3), Pg. 61, 1985.
mouse LD50 subcutaneous 601mg/kg (601mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

Farmakologiya i Toksikologiya Vol. 26, Pg. 10, 1963.
mouse LD50 unreported 250mg/kg (250mg/kg) "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 122, 1982.
rat LD50 intravenous 30mg/kg (30mg/kg) Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
rat LD50 subcutaneous 285mg/kg (285mg/kg) Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
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