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- ChemComp-KOF: beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: KOF
NameName: beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate
Synonyms: (2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate

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Chemical information

Composition
Formula: C10H21O12P / Number of atoms: 44 / Formula weight: 364.24 / Formal charge: 0
Others

8a0m

Type: non-polymer / PDB classification: HETAIN / Three letter code: KOF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8A0M
History
Create componentMay 31, 2022
Modify nameJul 1, 2022
Modify descriptorAug 22, 2022
Initial releaseApr 26, 2023
External linksUniChem / ChemSpider / ChEBI / 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]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O)O

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InChI

InChI 1.06InChI=1S/C10H21O12P/c11-1-6-8(15)9(16)10(22-6)20-2-4(12)7(14)5(13)3-21-23(17,18)19/h4-16H,1-3H2,(H2,17,18,19)/t4-,5+,6+,7-,8+,9+,10+/m0/s1

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InChIKey

InChI 1.06JWGOVVCXUKJSKW-DWMNMWHPSA-N

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PDB entries

Showing all 2 items

PDB-8a0m:
Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment

PDB-9h5i:
Haemophilus influenzae serotype b capsule polymerase bcs3 in complex with acceptor polymer

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