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BioLiP

PDB CCD ID: TS9
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1
InChIKey: QYQDTSNOBSCUAW-ZMIZWQJLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](O)[C](C)(O)[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)C(O)(C)C(O)C
CACTVS 3.370C[C@@H](O)[C@@](C)(O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0CC(C(C)(C(C(=O)O)N)O)O
OpenEye OEToolkits 1.7.0C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O
Name:(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
ZINC: ZINC000058632099
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).
  • 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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