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- ChemComp-GGS: phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetra... -

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Basic information

EntryDatabase: PDB chemical components / ID: GGS
NameName: phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid

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Chemical information

Composition
Formula: C20H36O6P2S / Number of atoms: 65 / Formula weight: 466.509 / Formal charge: 0
Others

3ae0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GGS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AE0
History
Create componentFeb 16, 2010
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

CACTVS 3.352CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0CC(=CCCC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C)C

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SMILES CANONICAL

CACTVS 3.352CC(C)=CCCC(/C)=C/CC/C(C)=C/CCC(\C)=C/CS[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C

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InChI

InChI 1.03InChI=1S/C20H36O6P2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-29-28(24,25)26-27(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13?,20-15-

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InChIKey

InChI 1.03BUSOKXFDTDWPOS-OGGZDJOISA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid

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PDB entries

Showing all 4 items

PDB-3ae0:
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate

PDB-5gue:
Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens

PDB-7pay:
Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium and GGsPP

PDB-7pb0:
Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium, GGsPP and IsPP

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