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BioLiP Library

PDB CCD ID: DO2
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N O5
InChI: InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1
InChIKey: GRXWCZHHLRJOLV-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(C=O)(O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(C=O)(O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)(O)C=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)(O)C=O)C(O)=O
ACDLabs 12.01O=CC(O)(O)CCC(N)C(=O)O
Name:5,5-dihydroxy-6-oxo-L-norleucine
ZINC: ZINC000098208807
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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