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BioLiP

PDB CCD ID: VMF
Number of entries in BioLiP: 4
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKey: PFYHYHZGDNWFIF-KAZBKCHUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O
CACTVS 3.385OC[CH]1N[CH](CO)[CH](O)[CH]1O
Name:(2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
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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