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BioLiP Library

PDB CCD ID: C9K
Number of entries in BioLiP: 0
Chemical formula: C5 H14 N2 O
InChI: InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1
InChIKey: XALTWITXELVMHP-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](N)CNCCO
OpenEye OEToolkits 2.0.6C[C@@H](CNCCO)N
OpenEye OEToolkits 2.0.6CC(CNCCO)N
CACTVS 3.385C[C@H](N)CNCCO
Name:2-[[(2~{S})-2-azanylpropyl]amino]ethanol
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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