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BioLiP

PDB CCD ID: 4HA
Number of entries in BioLiP: 3
Chemical formula: C4 H12 N O
InChI: InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1
InChIKey: BLFRQYKZFKYQLO-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341[NH3+]CCCCO
OpenEye OEToolkits 1.5.0C(CCO)C[NH3+]
ACDLabs 10.04OCCCC[NH3+]
Name:4-HYDROXYBUTAN-1-AMINIUM
DrugBank: DB02541
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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