| Drug General Information |
| Drug ID |
D02DWE
|
| Former ID |
DNC002650
|
| Drug Name |
3,6,9,12,15-Pentaoxaheptadecane
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C12H26O5
|
| Canonical SMILES |
CCOCCOCCOCCOCCOCC
|
| InChI |
1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
|
| InChIKey |
HYDWALOBQJFOMS-UHFFFAOYSA-N
|
| CAS Number |
CAS 4353-28-0
|
| PubChem Compound ID |
|
| PubChem Substance ID |
7889676, 8199354, 11109905, 11109906, 26744410, 31311593, 43133635, 46509043, 50003018, 51014214, 81061750, 81065050, 103126749, 103911233, 103911245, 103911247, 104368907, 117555842, 125754755, 128130096, 135036580, 137152336, 142566195, 160965539, 162757572, 176255648, 226570875, 241085071, 249912888
|
| Target and Pathway |
| Target(s) |
Acetylcholinesterase |
Target Info |
Inhibitor |
[1]
|
|---|
| Kynureninase |
Target Info |
Inhibitor |
[1]
|
|
BioCyc Pathway
|
Superpathway of tryptophan utilization
|
|
Tryptophan degradation
|
|
L-kynurenine degradation
|
|
Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
|
|
NAD de novo biosynthesis
|
|
KEGG Pathway
|
Glycerophospholipid metabolism
|
|
Cholinergic synapsehsa00380:Tryptophan metabolism
|
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Metabolic pathways
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NetPath Pathway
|
TSLP Signaling Pathway
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PANTHER Pathway
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Muscarinic acetylcholine receptor 1 and 3 signaling pathway
|
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Muscarinic acetylcholine receptor 2 and 4 signaling pathway
|
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Nicotinic acetylcholine receptor signaling pathway
|
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Pathway Interaction Database
|
ATF-2 transcription factor network
|
|
PathWhiz Pathway
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Phospholipid BiosynthesisPW000163:Tryptophan Metabolism
|
|
Reactome
|
Tryptophan catabolism
|
|
WikiPathways
|
Monoamine Transport
|
|
Biogenic Amine Synthesis
|
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Acetylcholine Synthesis
|
|
Integrated Pancreatic Cancer PathwayWP465:Tryptophan metabolism
|
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Metabolism of amino acids and derivatives
|
|
NAD Biosynthesis II (from tryptophan)
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|
Selenium Micronutrient Network
|
| References |
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. |
|---|
