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BioLiP Library

PDB CCD ID: OA8
Number of entries in BioLiP: 3
Chemical formula: C10 H18 N O10 P
InChI: InChI=1S/C10H18NO10P/c1-4(12)11-7-8(14)9(20-5(2)13)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1
InChIKey: WZFGOBLYIBEZRF-QWIPYHCPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)OC(=O)C)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](OC(C)=O)[C@@H]1O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)OC(=O)C)O
Name:{[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic 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)(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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