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BioLiP

PDB CCD ID: MN9
Number of entries in BioLiP: 4
Chemical formula: C8 H15 N O6
InChI: InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1
InChIKey: MBLBDJOUHNCFQT-WCTZXXKLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=O)NC(C=O)C(C(C(CO)O)O)O
CACTVS 3.352CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04O=CC(NC(=O)C)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.6.1CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
CACTVS 3.352CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
Name:2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE
DrugBank: DB12536
ZINC: ZINC000002020190
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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