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BioLiP

PDB CCD ID: UU5
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N2 O4
InChI: InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1
InChIKey: RNHFRBDAMXTSCX-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CNC(=O)C=O)C(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCNC(=O)C=O
OpenEye OEToolkits 1.7.6C(CNC(=O)C=O)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCNC(=O)C=O)C(O)=O
CACTVS 3.385N[C@@H](CCNC(=O)C=O)C(O)=O
Name:(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
ZINC: ZINC000098209513
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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