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- ChemComp-3R3: [[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2... -

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Open data


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Basic information

EntryDatabase: PDB chemical components / ID: 3R3
NameName: [[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

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Chemical information

Composition
Formula: C5H14NO13P3 / Number of atoms: 36 / Formula weight: 389.085 / Formal charge: 0
Others

4wn3

RIB

Type: D-saccharide / PDB classification: ATOMS / Three letter code: 3R3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4WN3 / Parent comp.: RIB
History
Create componentOct 13, 2014
Initial releaseDec 23, 2015
Other modificationJul 3, 2020
Modify parent residueJul 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 / 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 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.9.2C(C1C(C(C(O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1

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InChIKey

InChI 1.03FCRMTSGXHCKCEX-TXICZTDVSA-N

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PDB entries

Showing all 1 items

PDB-4wn3:
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(NH)P

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