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BioLiP

PDB CCD ID: SCU
Number of entries in BioLiP: 2
Chemical formula: C9 H18 N O3
InChI: InChI=1S/C9H18NO3/c1-10(2,3)6-8-13-9(12)5-4-7-11/h7H,4-6,8H2,1-3H3/q+1
InChIKey: RIRQNBQBGSVENV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=CCCC(=O)OCC[N+](C)(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCOC(=O)CCC=O
Name:N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM;
SUCCINYLMONOCHOLINE
ZINC: ZINC000038788902
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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