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BioLiP

PDB CCD ID: D8R
Number of entries in BioLiP: 0
Chemical formula: C9 H18 N2 O4
InChI: InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1
InChIKey: TVFTZQHBUQYHFH-RQJHMYQMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O)C(=O)NCCCC[CH](N)C(O)=O
CACTVS 3.385C[C@@H](O)C(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)NCCCCC(C(=O)O)N)O
OpenEye OEToolkits 2.0.7C[C@H](C(=O)NCCCC[C@@H](C(=O)O)N)O
Name:(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid
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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