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- ChemComp-Q6L: (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E}... -

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Open data


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Basic information

EntryDatabase: PDB chemical components / ID: Q6L
NameName: (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca- ...Name: (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol

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Chemical information

Composition
Formula: C40H58O2 / Number of atoms: 100 / Formula weight: 570.887 / Formal charge: 0
Others

7yca

Type: non-polymer / PDB classification: HETAIN / Three letter code: Q6L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YCA
History
Create componentMar 24, 2023
Initial releaseApr 26, 2023
External linksUniChem / ChemSpider / PubChem / 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 3.385CC(CCC1=C(C)C[CH](O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(C)C)CCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(/CCC1=C(C)C[C@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@H](C1)O)(C)C)CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C

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InChI

InChI 1.06InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,25,35-37,41-42H,22,24,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1

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InChIKey

InChI 1.06ULGXMGDBVFOYRY-NBTBXAKCSA-N

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PDB entries

Showing all 4 items

PDB-7yca:
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri

PDB-8hg3:
Cryo-EM structure of the Lhcp complex from Ostreococcus tauri

PDB-8hg5:
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri

PDB-8hg6:
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri

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