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BioLiP Library

PDB CCD ID: AGK
Number of entries in BioLiP: 1
Chemical formula: C5 H12 N2 O3
InChI: InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1
InChIKey: PPPMSBCQTLJPKM-WDCZJNDASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1[C@H]([C@H]([C@H](NN1)CO)O)O
OpenEye OEToolkits 1.7.6C1C(C(C(NN1)CO)O)O
CACTVS 3.385OC[CH]1NNC[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1NNC[C@@H](O)[C@H]1O
Name:(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol;
AZA-GALACTO-FAGOMINE
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)(download the PDF file).
  • 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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