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BioLiP

PDB CCD ID: 3K4
Number of entries in BioLiP: 4
Chemical formula: C4 H7 N O2
InChI: InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1
InChIKey: QOISFPILRGBKKL-HRFVKAFMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(N1)C(=O)O
ACDLabs 12.01O=C(O)C1NC1C
CACTVS 3.385C[CH]1N[CH]1C(O)=O
CACTVS 3.385C[C@@H]1N[C@@H]1C(O)=O
OpenEye OEToolkits 1.7.6C[C@H]1[C@H](N1)C(=O)O
Name:(2S,3S)-3-methylaziridine-2-carboxylic acid
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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