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BioLiP

PDB CCD ID: 1HD
Number of entries in BioLiP: 0
Chemical formula: C5 H12 N2 O2
InChI: InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1
InChIKey: FGWRNRQRNIHEGV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)NC[C@@H](CO)N
CACTVS 3.370CC(=O)NC[CH](N)CO
CACTVS 3.370CC(=O)NC[C@H](N)CO
OpenEye OEToolkits 1.7.6CC(=O)NCC(CO)N
ACDLabs 12.01O=C(NCC(N)CO)C
Name:N-[(2S)-2-amino-3-hydroxypropyl]acetamide
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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