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BioLiP

PDB CCD ID: U8S
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N3 O3
InChI: InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1
InChIKey: ISUKCUVQJCXRKC-NJGYIYPDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CC1=CN[C@H](O)N1)C(O)=O
OpenEye OEToolkits 2.0.7C1=C(N[C@H](N1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7C1=C(NC(N1)O)CC(C(=O)O)N
ACDLabs 12.01NC(CC1=CNC(O)N1)C(=O)O
CACTVS 3.385N[CH](CC1=CN[CH](O)N1)C(O)=O
Name:3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
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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