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- ChemComp-L2C: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE -

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Basic information

EntryDatabase: PDB chemical components / ID: L2C
NameName: (2S)-3-hydroxy-2-(nonanoyloxy)propyl laurate

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Chemical information

Composition
Formula: C24H46O5 / Number of atoms: 75 / Formula weight: 414.619 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: L2C
History
Create componentJul 31, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / ZINC / 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 10.04O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC
CACTVS 3.341CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC

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InChI

InChI 1.03InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1

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InChIKey

InChI 1.03MYFVXYUACRBWGD-QFIPXVFZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-3-hydroxy-2-(nonanoyloxy)propyl dodecanoate
OpenEye OEToolkits 1.5.0[(2S)-3-hydroxy-2-nonanoyloxy-propyl] dodecanoate

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PDB entries

Showing all 5 items

PDB-2dwd:
crystal structure of KcsA-FAB-TBA complex in Tl+

PDB-2dwe:
Crystal structure of KcsA-FAB-TBA complex in Rb+

PDB-2hvj:
Crystal structure of KcsA-Fab-TBA complex in low K+

PDB-2hvk:
crystal structure of the KcsA-Fab-TBA complex in high K+

PDB-2jk5:
Potassium Channel KcsA in complex with Tetrabutylammonium in high K

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