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BioLiP

PDB CCD ID: NGO
Number of entries in BioLiP: 6
Chemical formula: C8 H14 N O5
InChI: InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1
InChIKey: PDBSWNMXMILYCQ-PVFLNQBWSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=[NH+]C2C(C(C(OC2O1)CO)O)O
OpenEye OEToolkits 1.5.0CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O
CACTVS 3.341CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O1
CACTVS 3.341CC1=[NH+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O1
ACDLabs 10.04O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C
Name:2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE;
N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE

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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