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BioLiP Library

PDB CCD ID: 9R1
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O4
InChI: InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey: YOFPFYYTUIARDI-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CC[C@@H](C(=O)O)N)CCC(=O)O
CACTVS 3.385N[CH](CCCCCC(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCCCCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(CCC(C(=O)O)N)CCC(=O)O
ACDLabs 12.01NC(CCCCCC(O)=O)C(O)=O
Name:(2S)-2-aminooctanedioic acid
ZINC: ZINC000002384796
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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