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BioLiP

PDB CCD ID: HLU
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1
InChIKey: ZAYJDMWJYCTABM-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)[CH](O)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)[C@@H]([C@@H](C(=O)O)N)O
CACTVS 3.341CC(C)[C@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C(C(C(=O)O)N)O
ACDLabs 10.04O=C(O)C(N)C(O)C(C)C
Name:BETA-HYDROXYLEUCINE
DrugBank: DB02978
ZINC: ZINC000001715386
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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