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BioLiP

PDB CCD ID: 0Y9
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N O2
InChI: InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1
InChIKey: GALLMPFNVWUCGD-INEUFUBQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=CC1CC1(C(=O)O)N
OpenEye OEToolkits 1.7.6C=C[C@@H]1C[C@@]1(C(=O)O)N
CACTVS 3.370N[C]1(C[CH]1C=C)C(O)=O
CACTVS 3.370N[C@@]1(C[C@H]1C=C)C(O)=O
ACDLabs 12.01O=C(O)C1(N)CC1\C=C
Name:(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid
ZINC: ZINC000013525914
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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