SEQ2FUN

BioLiP

PDB CCD ID: ALM
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O
InChI: InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/t3-/m0/s1
InChIKey: OLYWGXUJESDUAC-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)C)N
CACTVS 3.341C[C@H](N)C(C)=O
ACDLabs 10.04O=C(C)C(N)C
OpenEye OEToolkits 1.5.0CC(C(=O)C)N
CACTVS 3.341C[CH](N)C(C)=O
Name:1-METHYL-ALANINAL;
3-AMINO-BUTAN-2-ONE
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).