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BioLiP

PDB CCD ID: ZWZ
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N2 O3
InChI: InChI=1S/C7H16N2O3/c1-3-5(10)7(12)6(11)4(2-8)9-3/h3-7,9-12H,2,8H2,1H3/t3-,4+,5+,6+,7+/m0/s1
InChIKey: AKIVXVRDQKFDJC-CQOGJGKDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(N1)CN)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O
CACTVS 3.341C[C@@H]1N[C@H](CN)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.341C[CH]1N[CH](CN)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(O)C(NC1CN)C
Name:(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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