ChemComp-RST: 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

Basic information

• Entry: Database: PDB chemical components / ID: RST
• Name: Name: 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose; Synonyms: RISTOSAMINE; 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexose; 3-amino-2,3,6-trideoxy-L-ribo-hexose

Chemical information

Composition

Formula: C₆H₁₃NO₃ / Number of atoms: 23 / Formula weight: 147.172 / Formal charge: 0

• Others: Type: L-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: RST / Ideal coordinates details: Corina

History

Create component	Sep 2, 2002
Modify descriptor	Jun 4, 2011
Modify leaving atom flag	Jun 22, 2012
Other modification	Jul 3, 2020
Modify name	Jul 17, 2020
Modify synonyms	Jul 17, 2020
Modify linking type	Jul 17, 2020
Modify atom id	Jul 17, 2020
Modify component atom id	Jul 17, 2020
Modify leaving atom flag	Jul 17, 2020

• External links: UniChem / ChemSpider / Nikkaji / PubChem / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: OC1C(OC(O)CC1N)C
• CACTVS 3.370: C[CH]1O[CH](O)C[CH](N)[CH]1O
• OpenEye OEToolkits 1.7.6: CC1C(C(CC(O1)O)N)O

SMILES CANONICAL

• CACTVS 3.370: C[C@@H]1O[C@@H](O)C[C@@H](N)[C@H]1O
• OpenEye OEToolkits 1.7.6: C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O)N)O

InChI

• InChI 1.03: InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1

InChIKey

• InChI 1.03: BBMKQGIZNKEDOX-KCDKBNATSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
• OpenEye OEToolkits 1.7.6: (2R,4R,5R,6S)-4-azanyl-6-methyl-oxane-2,5-diol

PDB entries

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