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BioLiP Library

PDB CCD ID: C9N
Number of entries in BioLiP: 0
Chemical formula: C6 H16 N2 O
InChI: InChI=1S/C6H16N2O/c1-6(7)5-8(2)3-4-9/h6,9H,3-5,7H2,1-2H3/t6-/m0/s1
InChIKey: RVKPNBCSECRBTR-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@H](CN(C)CCO)N
CACTVS 3.385C[CH](N)CN(C)CCO
CACTVS 3.385C[C@H](N)CN(C)CCO
OpenEye OEToolkits 2.0.6CC(CN(C)CCO)N
Name:2-[[(2~{S})-2-azanylpropyl]-methyl-amino]ethanol
ZINC: ZINC000039077987
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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