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- ChemComp-RI2: 1,5-di-O-phosphono-alpha-D-ribofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: RI2
NameName: 1,5-di-O-phosphono-alpha-D-ribofuranose
Synonyms: 1,5-di-O-phosphono-alpha-D-ribose; 1,5-di-O-phosphono-D-ribose; 1,5-di-O-phosphono-ribose

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Chemical information

Composition
Formula: C5H12O11P2 / Number of atoms: 30 / Formula weight: 310.09 / Formal charge: 0
Others

3q88

RIB

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: RI2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3Q88 / Parent comp.: RIB
History
Create componentJan 7, 2011
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / HMDB / KEGG_Ligand / PubChem / ZINC / 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 12.01O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C1O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

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InChIKey

InChI 1.03AAAFZMYJJHWUPN-TXICZTDVSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,5-di-O-phosphono-alpha-D-ribofuranose
OpenEye OEToolkits 1.7.0[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Ribf1PO35PO3

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PDB entries

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