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BioLiP

PDB CCD ID: CAB
Number of entries in BioLiP: 2
Chemical formula: C5 H9 N O5
InChI: InChI=1S/C5H9NO5/c6-3(4(8)9)1-5(10,11)2-7/h2-3,10-11H,1,6H2,(H,8,9)/t3-/m0/s1
InChIKey: NKTBKFGHLWDKLW-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=CC(O)(O)CC(C(=O)O)N
CACTVS 3.370N[CH](CC(O)(O)C=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)(O)C=O)C(O)=O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(C=O)(O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(C=O)(O)O
Name:4,4-dihydroxy-5-oxo-L-norvaline
ZINC: ZINC000002046953
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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