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BioLiP Library

PDB CCD ID: 83V
Number of entries in BioLiP: 0
Chemical formula: C12 H17 N O2
InChI: InChI=1S/C12H17NO2/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,15)/t11-/m0/s1
InChIKey: FXXGGVGRDTUZDT-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCC(CCC(=O)O)N
ACDLabs 12.01O=C(O)CCC(N)CCc1ccccc1
CACTVS 3.385N[CH](CCC(O)=O)CCc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC[C@@H](CCC(=O)O)N
CACTVS 3.385N[C@H](CCC(O)=O)CCc1ccccc1
Name:(4S)-4-amino-6-phenylhexanoic 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)(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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