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BioLiP

PDB CCD ID: NA1
Number of entries in BioLiP: 4
Chemical formula: C9 H17 N O6
InChI: InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1
InChIKey: KDTVUHXJRZVEIF-NBTWYFBKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O)COC)O)O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1O)COC)O)O
CACTVS 3.341COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
CACTVS 3.341COC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@H](O)[C@@H]1O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1O)COC)C
Name:2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose;
METHYL N-ACETYL ALLOSAMINE;
2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE;
2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose;
2-acetamido-2-deoxy-6-O-methyl-D-allose;
2-acetamido-2-deoxy-6-O-methyl-allose
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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