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BioLiP

PDB CCD ID: 49S
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N O7
InChI: InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4+,5-,6-,8+/m0/s1
InChIKey: KSOXQRPSZKLEOR-YMPULBMMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C(C(OC1O)C(=O)O)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(NC(=O)C)C(O)C1O
OpenEye OEToolkits 1.9.2CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Name:2-acetamido-2-deoxy-beta-D-mannopyranuronic acid;
2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid;
2-acetamido-2-deoxy-beta-D-mannuronic acid;
2-acetamido-2-deoxy-D-mannuronic acid;
2-acetamido-2-deoxy-mannuronic acid
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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