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- ChemComp-FMB: FORMYCIN B -

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Basic information

EntryDatabase: PDB chemical components / ID: FMB
NameName: formycin B

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Chemical information

Composition
Formula: C10H12N4O5 / Number of atoms: 31 / Formula weight: 268.226 / Formal charge: 0
Others

1a69

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FMB / Model coordinates PDB-ID: 1A69
History
Create componentJul 8, 1999
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=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O

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SMILES CANONICAL

CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

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InChI

InChI 1.03InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

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InChIKey

InChI 1.03MTCJZZBQNCXKAP-KSYZLYKTSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1S)-1,4-anhydro-1-(7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol
OpenEye OEToolkits 1.5.03-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrazolo[5,4-e]pyrimidin-7-one

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PDB entries

Showing all 4 items

PDB-1a69:
PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH FORMYCIN B AND SULPHATE (PHOSPHATE)

PDB-1jdz:
CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION

PDB-1pr1:
Escherichia coli Purine Nucleoside Phosphorylase Complexed with Formycin B and Phosphate/Sulfate

PDB-1tc1:
A 1.4 ANGSTROM CRYSTAL STRUCTURE FOR THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE OF TRYPANOSOMA CRUZI

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