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BioLiP Library

PDB CCD ID: 8WY
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c1-6(10,11)3-2-4(7)5(8)9/h4,10-11H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1
InChIKey: CRZSOCVDEBRAJD-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(O)(O)CC[CH](N)C(O)=O
CACTVS 3.385CC(O)(O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6CC(CCC(C(=O)O)N)(O)O
OpenEye OEToolkits 2.0.6CC(CC[C@@H](C(=O)O)N)(O)O
ACDLabs 12.01O=C(O)C(N)CCC(O)(O)C
Name:5,5-dihydroxy-L-norleucine
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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