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- ChemComp-DSL: MONO-TRANS, OCTA-CIS DECAPRENYL-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: DSL
NameName: mono-trans, octa-cis decaprenyl-phosphate

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Chemical information

Composition
Formula: C50H83O4P / Number of atoms: 138 / Formula weight: 779.165 / Formal charge: 0
Others

2xxp

Type: non-polymer / PDB classification: HETAIN / Three letter code: DSL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XXP
History
Create componentNov 11, 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)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O
OpenEye OEToolkits 1.6.1CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C

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SMILES CANONICAL

CACTVS 3.352CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(O)=O
OpenEye OEToolkits 1.6.1CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

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InChI

InChI 1.03InChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-

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InChIKey

InChI 1.03XBEJBEIXLWRYBT-DJNGBRKISA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] dihydrogen phosphate

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PDB entries

Showing all 6 items

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A widespread family of bacterial cell wall assembly proteins

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Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state

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Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol

PDB-8j8k:
Membrane bound PRTase, C3 symmetry, acceptor bound

PDB-9dm5:
Product-Bound mannosyltransferase PimE

PDB-9mjb:
Product-Bound mannosyltransferase PimE in complex with Fab

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