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BioLiP

PDB CCD ID: IF7
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1
InChIKey: ARBXEMIAJIJEQI-WISUUJSJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(C(C(=O)N1)O)O)CO
OpenEye OEToolkits 1.7.6C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO
CACTVS 3.385OC[CH]1CNC(=O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1CNC(=O)[C@@H](O)[C@H]1O
Name:(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one;
ISO-GALACTO-FAGOMINE LACTAM

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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