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BioLiP Library

PDB CCD ID: BWB
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O7
InChI: InChI=1S/C8H15NO7/c9-3(7(13)14)1-15-8-6(12)5(11)4(10)2-16-8/h3-6,8,10-12H,1-2,9H2,(H,13,14)/t3-,4?,5?,6?,8?/m0/s1
InChIKey: JZKWDGBUDUNWAP-SQYPTRDESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(C(C(C(O1)OCC(C(=O)O)N)O)O)O
CACTVS 3.385N[CH](COC1OCC(O)C(O)C1O)C(O)=O
OpenEye OEToolkits 2.0.6C1[C@H](C(C([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O
CACTVS 3.385N[C@@H](COC1OCC(O)C(O)C1O)C(O)=O
Name:(2~{S})-2-azanyl-3-[(2~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic 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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