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- ChemComp-QTB: (3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: QTB
NameName: (3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one

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Chemical information

Composition
Formula: C18H28O / Number of atoms: 47 / Formula weight: 260.414 / Formal charge: 0
Others

6zzy

Type: non-polymer / PDB classification: HETAIN / Three letter code: QTB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZZY
History
Create componentAug 6, 2020
Initial releaseJul 28, 2021
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

CACTVS 3.385C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC=CC(C)=O
OpenEye OEToolkits 2.0.7CC1CCCC(C1C=CC(=CC=CC(=O)C)C)(C)C

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SMILES CANONICAL

CACTVS 3.385C[C@@H]1CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=O
OpenEye OEToolkits 2.0.7C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C(=O)C)/C)(C)C

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InChI

InChI 1.03InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,15,17H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+/t15-,17+/m1/s1

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InChIKey

InChI 1.03WXNCHUZBWWHNPM-FHRFKLSGSA-N

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PDB entries

Showing all 6 items

PDB-6zzx:
Structure of low-light grown Chlorella ohadii Photosystem I

PDB-6zzy:
Structure of high-light grown Chlorella ohadii photosystem I

PDB-7a4p:
Structure of small high-light grown Chlorella ohadii photosystem I

PDB-7bgi:
Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii

PDB-7blx:
Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii

PDB-9kqp:
PSI-LHCI supercomplex binding with 10 Lhcas from C. subellipsoidea

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