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BioLiP Library

PDB CCD ID: XEJ
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
InChIKey: OTVXVVYHNZUDSN-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CC(=O)N)N
OpenEye OEToolkits 2.0.7C[C@H](CC(=O)N)N
CACTVS 3.385C[CH](N)CC(N)=O
ACDLabs 12.01CC(N)CC(N)=O
CACTVS 3.385C[C@@H](N)CC(N)=O
Name:(3R)-3-aminobutanamide
ZINC: ZINC000034566495
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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