SEQ2FUN

BioLiP

PDB CCD ID: DCK
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N O3
InChI: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1/t6-/m0/s1
InChIKey: PHIQHXFUZVPYII-LURJTMIESA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[N+](C)(C)C[C@H](CC(=O)O)O
CACTVS 3.370C[N+](C)(C)C[CH](O)CC(O)=O
CACTVS 3.370C[N+](C)(C)C[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.7.0C[N+](C)(C)CC(CC(=O)O)O
ACDLabs 12.01O=C(O)CC(O)C[N+](C)(C)C
Name:(2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium;
D-carnitine
ZINC: ZINC000000154729
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).