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- ChemComp-ULO: nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane -

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Basic information

EntryDatabase: PDB chemical components / ID: ULO
NameName: nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane

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Chemical information

Composition
Formula: C15H33OP / Number of atoms: 50 / Formula weight: 260.396 / Formal charge: 0
Others

8e4l

Type: non-polymer / PDB classification: HETAIN / Three letter code: ULO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8E4L
History
Create componentAug 23, 2022
Initial releaseOct 26, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=P(CCCCCCCCC)(C(C)C)C(C)C
CACTVS 3.385CCCCCCCCC[P](=O)(C(C)C)C(C)C
OpenEye OEToolkits 2.0.7CCCCCCCCCP(=O)(C(C)C)C(C)C

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCC[P](=O)(C(C)C)C(C)C
OpenEye OEToolkits 2.0.7CCCCCCCCCP(=O)(C(C)C)C(C)C

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InChI

InChI 1.06InChI=1S/C15H33OP/c1-6-7-8-9-10-11-12-13-17(16,14(2)3)15(4)5/h14-15H,6-13H2,1-5H3

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InChIKey

InChI 1.06DHOTYMJGZIUWRT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane
OpenEye OEToolkits 2.0.71-di(propan-2-yl)phosphorylnonane

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PDB entries

Showing all 3 items

PDB-8e4l:
The open state mouse TRPM8 structure in complex with the cooling agonist C3, AITC, and PI(4,5)P2

PDB-8e4m:
The intermediate C2-state mouse TRPM8 structure in complex with the cooling agonist C3 and PI(4,5)P2

PDB-9b6h:
Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist TC-I 2014 and the cooling agonist C3

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