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BioLiP

PDB CCD ID: A1D5B
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1
InChIKey: KPNBUPJZFJCCIQ-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[CH](N)CCCCN
OpenEye OEToolkits 2.0.7COC(=O)C(CCCCN)N
OpenEye OEToolkits 2.0.7COC(=O)[C@H](CCCCN)N
CACTVS 3.385COC(=O)[C@@H](N)CCCCN
Name:methyl (2~{S})-2,6-bis(azanyl)hexanoate;
Methyl lysinate
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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