SEQ2FUN

BioLiP

PDB CCD ID: HYH
Number of entries in BioLiP: 5
Chemical formula: C6 H13 N O2
InChI: InChI=1S/C6H13NO2/c1-2-3-4-5(8)6(7)9/h5,8H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
InChIKey: PWIXYTPZGNDAMG-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCC(C(=O)N)O
CACTVS 3.385CCCC[CH](O)C(N)=O
ACDLabs 12.01O=C(N)C(O)CCCC
CACTVS 3.385CCCC[C@@H](O)C(N)=O
OpenEye OEToolkits 1.7.6CCCC[C@H](C(=O)N)O
Name:(2R)-2-hydroxyhexanamide
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).