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BioLiP

PDB CCD ID: HOO
Number of entries in BioLiP: 0
Chemical formula: C6 H7 N3 O4
InChI: InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1
InChIKey: HQYOJZBTFAOZED-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C1=NC(=O)NC1=O)C(C(=O)O)N
CACTVS 3.385N[CH](CC1=NC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 2.0.6C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CC1=NC(=O)NC1=O)C(O)=O
Name:(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic 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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