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- ChemComp-RG1: Rhodopin b-D-glucoside -

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Basic information

EntryDatabase: PDB chemical components / ID: RG1
NameName: Rhodopin b-D-glucoside
Synonyms: (3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside

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Chemical information

Composition
Formula: C46H66O6 / Number of atoms: 118 / Formula weight: 715.013 / Formal charge: 0
Others

2fkw

Type: D-saccharide / PDB classification: ATOMS / Three letter code: RG1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2FKW
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationMar 18, 2016
Modify synonymsJun 5, 2020
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 12.01C1(OC(C(C(C1O)O)O)CO)OC(C)(C)CCCC(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C
CACTVS 3.385CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.4CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)C)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.4CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C

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InChI

InChI 1.03InChI=1S/C46H66O6/c1-34(2)19-13-22-37(5)25-16-28-38(6)26-14-23-35(3)20-11-12-21-36(4)24-15-27-39(7)29-17-30-40(8)31-18-32-46(9,10)52-45-44(50)43(49)42(48)41(33-47)51-45/h11-17,19-30,41-45,47-50H,18,31-33H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,35-20+,36-21+,37-25+,38-26+,39-27+,40-30+/t41-,42-,43+,44-,45+/m1/s1

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InChIKey

InChI 1.03ISHBHDBCVQRMDY-GZIKAPSJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside
OpenEye OEToolkits 2.0.4(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-yl]oxy-oxane-3,4,5-triol

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PDB entries

Showing all 3 items

PDB-1kzu:
INTEGRAL MEMBRANE PERIPHERAL LIGHT HARVESTING COMPLEX FROM RHODOPSEUDOMONAS ACIDOPHILA STRAIN 10050

PDB-1nkz:
Crystal structure of LH2 B800-850 from Rps. acidophila at 2.0 Angstrom resolution

PDB-2fkw:
Structure of LH2 from Rps. acidophila crystallized in lipidic mesophases

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