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- ChemComp-FWK: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3... -

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Basic information

EntryDatabase: PDB chemical components / ID: FWK
NameName: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol

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Chemical information

Composition
Formula: C11H15N5O3 / Number of atoms: 34 / Formula weight: 265.269 / Formal charge: 0
Others

6h9e

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FWK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6H9E
History
Create componentAug 4, 2018
Initial releaseAug 14, 2019
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 3.385CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 2.0.6CCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O

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SMILES CANONICAL

CACTVS 3.385CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 2.0.6CC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

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InChI

InChI 1.03InChI=1S/C11H15N5O3/c1-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

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InChIKey

InChI 1.03RLOSCLOIJYLPHI-IOSLPCCCSA-N

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PDB entries

Showing all 5 items

PDB-6h9e:
Structure of glutamate mutase reconstituted with homo-coenzyme B12

PDB-7xrk:
Diol dehydratase complexed with AdoMeCbl

PDB-7xrl:
Diol dehydratase complexed with AdoMeCbl and 1,2-propanediol

PDB-7xrm:
Ethanolamine ammonia-lyase complexed with AdoMeCbl

PDB-7xrn:
Ethanolamine ammonia-lyase complexed with AdoMeCbl in the presence of substrate

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