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BioLiP

PDB CCD ID: VPL
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N O5
InChI: InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1
InChIKey: XSQZVCXBAGPICS-KVTDHHQDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O
OpenEye OEToolkits 2.0.7C1C(C(C(OC1C(=O)N)CO)O)O
CACTVS 3.385NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
CACTVS 3.385NC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
Name:(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide

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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