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- ChemComp-7E8: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 7E8
NameName: (2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate / Synonyms: 7.7 MAG

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Chemical information

Composition
Formula: C17H32O4 / Number of atoms: 53 / Formula weight: 300.434 / Formal charge: 0
Others

2yev

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 700000000 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YEV
History
Create componentMar 31, 2011
Modify synonymsMay 5, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCC
CACTVS 3.370CCCCCCC=CCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.0CCCCCCC=CCCCCCC(=O)OCC(CO)O

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SMILES CANONICAL

CACTVS 3.370CCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.7.0CCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O

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InChI

InChI 1.03InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1

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InChIKey

InChI 1.03LVBAGTJIDOCNIJ-XITLMJRVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
OpenEye OEToolkits 1.7.0[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-7-enoate

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PDB entries

Showing all 3 items

PDB-2yev:
Structure of caa3-type cytochrome oxidase

PDB-5bz3:
CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.

PDB-7e9s:
Archaeal oligosaccharyltransferase AglB from Archaeoglobus fulgidus in complex with an inhibitory peptide and a dolichol-phosphate

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