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- ChemComp-CMN: (1R,2R,3S,6R)-6-AMINO-4-(HYDROXYMETHYL)CYCLOHEX-4-ENE-1,2,3-TRIOL -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: CMN
Status

ACI

Status: Obsoleted / Replaced by: ACI
NameName: (1R,2R,3S,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Commentantibiotic*YM

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Chemical information

Composition
Formula: C7H13NO4 / Number of atoms: 25 / Formula weight: 175.182 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: CMN
History
Create componentJun 30, 2000
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

ACDLabs 10.04OC1C(=CC(N)C(O)C1O)CO
CACTVS 3.341N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1=C(C(C(C(C1N)O)O)O)CO

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SMILES CANONICAL

CACTVS 3.341N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO

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InChI

InChI 1.02bInChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1

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InChIKey

InChI 1.02bXPHOBMULWMGEBA-VZFHVOOUBJ

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SYSTEMATIC NAME

ACDLabs 10.04(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
OpenEye OEToolkits 1.5.0(1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

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