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BioLiP

PDB CCD ID: UZN
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-2-3-4-6(8)5-9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey: GSVUHFSDGXYXHO-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(CNC(=O)O)N
CACTVS 3.385CCCC[CH](N)CNC(O)=O
CACTVS 3.385CCCC[C@H](N)CNC(O)=O
OpenEye OEToolkits 2.0.7CCCC[C@@H](CNC(=O)O)N
Name:[(2~{S})-2-azanylhexyl]carbamic 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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