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- ChemComp-R2G: 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol -

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Basic information

EntryDatabase: PDB chemical components / ID: R2G
NameName: 2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol

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Chemical information

Composition
Formula: C5H8O3 / Number of atoms: 16 / Formula weight: 116.115 / Formal charge: 0
Others

3kvr

Type: L-saccharide / PDB classification: ATOMS / Three letter code: R2G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KVR
History
Create componentDec 9, 2009
Modify descriptorJun 4, 2011
Other modificationApr 12, 2020
Other modificationJul 3, 2020
Modify component atom idJul 17, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385OC[CH]1OC=C[CH]1O
OpenEye OEToolkits 2.0.7C1=COC(C1O)CO

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SMILES CANONICAL

CACTVS 3.385OC[C@@H]1OC=C[C@H]1O
OpenEye OEToolkits 2.0.7C1=CO[C@H]([C@@H]1O)CO

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InChI

InChI 1.03InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1

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InChIKey

InChI 1.03SGOSIWMWLVSBIC-UHNVWZDZSA-N

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PDB entries

Showing all 1 items

PDB-3kvr:
Trapping of an oxocarbenium ion intermediate in UP crystals

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