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BioLiP

PDB CCD ID: 45W
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N O3
InChI: InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1
InChIKey: SJLMKEOAQSEVOM-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C#CO[C@H]1C[C@@H](NC1)C(=O)O
CACTVS 3.385OC(=O)[C@H]1C[C@@H](CN1)OC#C
ACDLabs 12.01O=C(O)C1NCC(OC#C)C1
OpenEye OEToolkits 1.9.2C#COC1CC(NC1)C(=O)O
CACTVS 3.385OC(=O)[CH]1C[CH](CN1)OC#C
Name:(4S)-4-(ethynyloxy)-D-proline
ZINC: ZINC000263621042
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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