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BioLiP

PDB CCD ID: V5N
Number of entries in BioLiP: 0
Chemical formula: C6 H9 N3 O3
InChI: InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
InChIKey: KQMBIBBJWXGSEI-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c([nH]cn1)C(C(C(=O)O)N)O
CACTVS 3.385N[C@@H]([C@H](O)c1[nH]cnc1)C(O)=O
CACTVS 3.385N[CH]([CH](O)c1[nH]cnc1)C(O)=O
OpenEye OEToolkits 2.0.7c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O
Name:(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
ZINC: ZINC000013283580
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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