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BioLiP

PDB CCD ID: XN7
Number of entries in BioLiP: 2
Chemical formula: C6 H14 N2 O3
InChI: InChI=1S/C6H14N2O3/c9-3-1-7-5-6(11)8-2-4-10/h7,9-10H,1-5H2,(H,8,11)
InChIKey: IXMVWXRQTPARRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCNCC(=O)NCCO
OpenEye OEToolkits 2.0.7C(CO)NCC(=O)NCCO
ACDLabs 12.01C(CNCC(NCCO)=O)O
Name:N,N~2~-bis(2-hydroxyethyl)glycinamide
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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