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BioLiP

PDB CCD ID: A1L3Z
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKey: RVNSAAIWCWTCTJ-BGPJRJDNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H](N1)[C@@H](CO)O)O)O
CACTVS 3.385OC[C@@H](O)[C@@H]1NC[C@H](O)[C@H]1O
CACTVS 3.385OC[CH](O)[CH]1NC[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(N1)C(CO)O)O)O
Name:(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]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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