SEQ2FUN

BioLiP

PDB CCD ID: LCZ
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O
InChI: InChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h4-6H,3,7H2,1-2H3/t6-/m0/s1
InChIKey: ZOFRRNUENOHELM-LURJTMIESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=CC(N)CC(C)C
CACTVS 3.370CC(C)C[CH](N)C=O
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C=O)N
OpenEye OEToolkits 1.7.6CC(C)CC(C=O)N
CACTVS 3.370CC(C)C[C@H](N)C=O
Name:(2S)-2-amino-4-methylpentanal
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).