SEQ2FUN

BioLiP

PDB CCD ID: A1BM5
Number of entries in BioLiP: 2
Chemical formula: C7 H13 N O3
InChI: InChI=1S/C7H13NO3/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6,9H,1-4H2,(H2,8,10)
InChIKey: KOEHHYFUIVEIQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)[CH](O)C1CCOCC1
CACTVS 3.385NC(=O)[C@@H](O)C1CCOCC1
OpenEye OEToolkits 3.1.0.0C1COCCC1C(C(=O)N)O
OpenEye OEToolkits 3.1.0.0C1COCCC1[C@@H](C(=O)N)O
ACDLabs 14.52OC(C(N)=O)C1CCOCC1
Name:(2S)-2-hydroxy-2-(oxan-4-yl)acetamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).