SEQ2FUN

BioLiP

PDB CCD ID: LYJ
Number of entries in BioLiP: 0
Chemical formula: C6 H16 N2 O
InChI: InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
InChIKey: LTGPFZWZZNUIIK-LURJTMIESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OCC(N)CCCCN
CACTVS 3.370NCCCC[CH](N)CO
CACTVS 3.370NCCCC[C@H](N)CO
OpenEye OEToolkits 1.7.6C(CCN)CC(CO)N
OpenEye OEToolkits 1.7.6C(CCN)C[C@@H](CO)N
Name:(2S)-2,6-diaminohexan-1-ol
ZINC: ZINC000035923510
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).