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BioLiP

PDB CCD ID: 05N
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKey: OKDDZUAFBARWMD-YUPRTTJUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H]1[C@H](CN[C@@H]1C(=O)O)O
OpenEye OEToolkits 1.7.6CC1C(CNC1C(=O)O)O
CACTVS 3.370C[CH]1[CH](O)CN[CH]1C(O)=O
CACTVS 3.370C[C@H]1[C@@H](O)CN[C@@H]1C(O)=O
ACDLabs 12.01O=C(O)C1NCC(O)C1C
Name:(3R,4R)-4-hydroxy-3-methyl-L-proline
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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