PubChem Compounds for BioSystems (Select 143046) - PubChem Compound - NCBI

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Select item 442292241.

an image of a chemical structure CID 44229224

BDBM197172; A820103; 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azaniumyl-butanoate ...

MW:: 399.400
MF:: C₁₅H₂₃N₆O₅S⁺

IUPAC name:: 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-...

Create Date:: 2009-10-15

CID:: 44229224

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 252462222.

an image of a chemical structure CID 25246222

5'-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5'-thioadenosine; (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-2-azaniumylbutanoate; 2qbu ...

MW:: 384.410
MF:: C₁₄H₂₀N₆O₅S

IUPAC name:: (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyox...

Create Date:: 2009-05-14

CID:: 25246222

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 252455993.

an image of a chemical structure CID 25245599

2'-hydroxynicotine; CPD-3187; (2R)-1-methyl-2-(3-pyridyl)pyrrolidin-1-ium-2-ol

MW:: 179.240
MF:: C₁₀H₁₅N₂O⁺

IUPAC name:: (2R)-1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-2-ol

Create Date:: 2009-05-14

CID:: 25245599

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 252034264.

an image of a chemical structure CID 25203426

new record, indexing in progress

CID:: 25203426

Select item 252030995.

an image of a chemical structure CID 25203099

1-methyl-3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium; nicotine isomethonium ion; CHEBI:165175 ...

MW:: 178.270
MF:: C₁₁H₁₈N₂⁺²

IUPAC name:: 1-methyl-3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium

Create Date:: 2009-03-31

CID:: 25203099

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 252026206.

an image of a chemical structure CID 25202620

UDP-alpha-D-glucuronate(3-); udp-glcua; UDP-D-glucuronic acid ...

MW:: 577.260
MF:: C₁₅H₁₉N₂O₁₈P₂^-3

IUPAC name:: (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-...

Create Date:: 2009-03-31

CID:: 25202620

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 252006437.

an image of a chemical structure CID 25200643

pseudooxynicotinium(1+); pseudooxynicotine(1+); pseudooxynicotinium cation ...

MW:: 179.240
MF:: C₁₀H₁₅N₂O⁺

IUPAC name:: methyl-(4-oxo-4-pyridin-3-ylbutyl)azanium

Create Date:: 2009-03-31

CID:: 25200643

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 236152938.

an image of a chemical structure CID 23615293

4-(3-pyridyl)-3-butenoate

MW:: 162.160
MF:: C₉H₈NO₂^-

IUPAC name:: (E)-4-pyridin-3-ylbut-3-enoate

Create Date:: 2007-12-12

CID:: 23615293

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 236152029.

an image of a chemical structure CID 23615202

4-(3-pyridyl)-butanoate; 4-(3-pyridyl)-butanoic acid

MW:: 164.180
MF:: C₉H₁₀NO₂^-

IUPAC name:: 4-pyridin-3-ylbutanoate

Create Date:: 2007-12-12

CID:: 23615202

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 2005671710.

an image of a chemical structure CID 20056717

uridine-diphosphate; UDP(3-); CHEMBL1096401 ...

MW:: 401.140
MF:: C₉H₁₁N₂O₁₂P₂^-3

IUPAC name:: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxo...

Create Date:: 2007-12-05

CID:: 20056717

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 1598394911.

an image of a chemical structure CID 15983949

NADPH; NADPH(4-); 2646-71-1 ...

MW:: 741.400
MF:: C₂₁H₂₆N₇O₁₇P₃^-4

IUPAC name:: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(...

Create Date:: 2007-03-25

CID:: 15983949

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 1593897212.

an image of a chemical structure CID 15938972

coenzyme II; NADP; NADP(+) ...

MW:: 740.400
MF:: C₂₁H₂₅N₇O₁₇P₃^-3

IUPAC name:: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(...

Create Date:: 2007-02-15

CID:: 15938972

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 702118513.

an image of a chemical structure CID 7021185

4-oxo-4-(pyridin-3-yl)butanoate; gamma-oxo-3-pyridinebutanoate; 4-oxo-4-(3-pyridyl)-butanoate ...

MW:: 178.160
MF:: C₉H₈NO₃^-

IUPAC name:: 4-oxo-4-pyridin-3-ylbutanoate

Create Date:: 2006-07-29

CID:: 7021185

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 695051314.

an image of a chemical structure CID 6950513

(-)-nornicotine; (S)-nornicotine(1+); CHEBI:190184 ...

MW:: 149.210
MF:: C₉H₁₃N₂⁺

IUPAC name:: 3-[(2S)-pyrrolidin-1-ium-2-yl]pyridine

Create Date:: 2006-07-28

CID:: 6950513

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 691900015.

an image of a chemical structure CID 6919000

(S)-nicotinium(1+); (S)-nicotinium cation; 2yk1 ...

MW:: 163.240
MF:: C₁₀H₁₅N₂⁺

IUPAC name:: 3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridine

Create Date:: 2006-07-28

CID:: 6919000

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 461529916.

an image of a chemical structure CID 4615299

3-pyridylacetate; 3-pyridinylacetate; (Pyridin-3-yl)acetate ...

MW:: 136.130
MF:: C₇H₆NO₂^-

IUPAC name:: 2-pyridin-3-ylacetate

Create Date:: 2005-09-16

CID:: 4615299

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 439479217.

an image of a chemical structure CID 4394792

4-hydroxy-4-(3-pyridyl)-butanoate; gamma-(3-pyridyl)-gamma-hydroxybutyric acid; 1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt

MW:: 180.180
MF:: C₉H₁₀NO₃^-

IUPAC name:: 4-hydroxy-4-pyridin-3-ylbutanoate

Create Date:: 2005-09-14

CID:: 4394792

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 85401918.

an image of a chemical structure CID 854019

cotinine; (-)-Cotinine; 486-56-6 ...

MW:: 176.210
MF:: C₁₀H₁₂N₂O

IUPAC name:: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Create Date:: 2005-07-09

CID:: 854019

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 18113919.

an image of a chemical structure CID 181139

nicotine iminium; nicotine-Delta1'5'-iminium ion; 11C-nicotine imine ...

MW:: 161.220
MF:: C₁₀H₁₃N₂⁺

IUPAC name:: 3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine

Create Date:: 2005-08-09

CID:: 181139

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 9222320.

an image of a chemical structure CID 92223

demethylcotinine; 5980-06-3; (5S)-5-pyridin-3-ylpyrrolidin-2-one ...

MW:: 162.190
MF:: C₉H₁₀N₂O

IUPAC name:: (5S)-5-pyridin-3-ylpyrrolidin-2-one

Create Date:: 2005-08-08

CID:: 92223

Summary Similar Compounds Same Parent, Connectivity

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Chemical Properties

Rule of 5 (22)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (10)
Compounds identified as active in screening experiments

BioAssays, Tested (15)
Compounds identified as tested in screening experiments

Protein 3D Structures (6)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (3)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (26)
Compounds involved in biological pathways

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PubChem Compounds for BioSystems (Select 143046) (27)
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