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BioLiP

PDB CCD ID: 2HM
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O4
InChI: InChI=1S/C8H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9-13/h5-6,13H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1
InChIKey: MSTVIJUMKPFGJQ-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NO)CC(C(=O)O)CC(C)C
CACTVS 3.370CC(C)C[C@H](CC(=O)NO)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)CC(CC(=O)NO)C(=O)O
OpenEye OEToolkits 1.7.0CC(C)C[C@H](CC(=O)NO)C(=O)O
CACTVS 3.370CC(C)C[CH](CC(=O)NO)C(O)=O
Name:(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
ZINC: ZINC000098208177
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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