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- ChemComp-RBZ: ALPHA-RIBAZOLE-5'-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: RBZ
NameName: alpha-ribazole-5'-phosphate

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Chemical information

Composition
Formula: C14H19N2O7P / Number of atoms: 43 / Formula weight: 358.284 / Formal charge: 0
Others

1l4e

RIC

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RBZ / Model coordinates PDB-ID: 1L4E / Replaces: RIC
History
Create componentMar 19, 2002
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

ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
CACTVS 3.341Cc1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.341Cc1cc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

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InChIKey

InChI 1.03ZMRGXEJKZPRBPJ-SYQHCUMBSA-N

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SYSTEMATIC NAME

ACDLabs 10.045,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 4 items

PDB-1d0v:
CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH ITS REACTION PRODUCTS DETERMINED TO 1.9 A RESOLUTION

PDB-1l4e:
The crystal structure of CobT complexed with alpha-ribazole-5'-phosphate

PDB-4kqi:
Crystal structure of CobT E317A complexed with its reaction products

PDB-6pu6:
CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide

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