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- ChemComp-VTQ: RRR-ALPHA-TOCOPHERYLQUINONE -

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Basic information

EntryDatabase: PDB chemical components / ID: VTQ
NameName: rrr-alpha-tocopherylquinone

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Chemical information

Composition
Formula: C29H50O3 / Number of atoms: 82 / Formula weight: 446.706 / Formal charge: 0
Others

1olm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VTQ / Model coordinates PDB-ID: 1OLM
History
Create componentAug 8, 2003
Modify descriptorJun 4, 2011
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 10.04O=C1C(=C(C(=O)C(=C1CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[C](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)C

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SMILES CANONICAL

CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C

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InChI

InChI 1.03InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1

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InChIKey

InChI 1.03LTVDFSLWFKLJDQ-IEOSBIPESA-N

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SYSTEMATIC NAME

ACDLabs 10.042-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.02-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethyl-hexadecyl]-3,5,6-trimethyl-cyclohexa-2,5-diene-1,4-dione

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PDB entries

Showing all 4 items

PDB-1olm:
Supernatant Protein Factor in Complex with RRR-alpha-Tocopherylquinone: A Link between Oxidized Vitamin E and Cholesterol Biosynthesis

PDB-8kde:
Cryo-EM structure of an intermediate-state complex during the process of photosystem II repair

PDB-8zee:
Cryo-EM structure of an intermediate-state PSII-PRF2' complex during the process of photosystem II repair

PDB-9lk5:
The structure of Lhcb8-C2S2 PSII-LHCII supercomplex from Arabidopsis thaliana

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