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- ChemComp-79N: (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate -

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Basic information

EntryDatabase: PDB chemical components / ID: 79N
NameName: (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate

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Chemical information

Composition
Formula: C19H36O4 / Number of atoms: 59 / Formula weight: 328.487 / Formal charge: 0
Others

4uxz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 79N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UXZ
History
Create componentAug 28, 2014
Initial releaseSep 30, 2015
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=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCC(=O)OCC(CO)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O

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InChI

InChI 1.03InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m0/s1

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InChIKey

InChI 1.03OWGMAJRKMYGYBQ-LPADLIQXSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
OpenEye OEToolkits 1.7.6[(2S)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate

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PDB entries

Showing all 4 items

PDB-4uxz:
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution

PDB-4uyo:
Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution

PDB-7qhb:
Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ

PDB-7qhh:
Desensitized state of GluA1/2 AMPA receptor in complex with TARP-gamma 8 (TMD-LBD)

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