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BioLiP Library

PDB CCD ID: BMX
Number of entries in BioLiP: 17
Chemical formula: C8 H16 N O9 P
InChI: InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1
InChIKey: BRGMHAYQAZFZDJ-UOLFYFMNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.370CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
Name:2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose;
2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE;
N-acetyl-6-O-phosphono-alpha-D-mannosamine;
2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannose;
2-acetamido-2-deoxy-6-O-phosphono-D-mannose;
2-acetamido-2-deoxy-6-O-phosphono-mannose
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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