SEQ2FUN

BioLiP

PDB CCD ID: A1A33
Number of entries in BioLiP: 3
Chemical formula: C9 H19 N O
InChI: InChI=1S/C9H19NO/c1-8(2)10-5-3-4-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3
InChIKey: LZXLHLSTUPFULX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(C)N1CCCC(C1)CO
OpenEye OEToolkits 3.1.0.0CC(C)N1CCC[C@H](C1)CO
CACTVS 3.385CC(C)N1CCC[CH](CO)C1
CACTVS 3.385CC(C)N1CCC[C@@H](CO)C1
ACDLabs 14.52CC(C)N1CCCC(CO)C1
Name:[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol
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).