BioLiP

Zhang Lab

University of Michigan

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C5 H12 N O

InChI:

InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1

InChIKey:

SXKNCCSPZDCRFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=CC[N+](C)(C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[N+](C)(C)CC=O

Name:

BETAINE ALDEHYDE;
[FORMYLMETHYL]TRIMETHYL-AMMONIUM;
N,N,N-TRIMETHYL AMMONIUM ACETALDEHYDE

ChEMBL:

DrugBank:

ZINC:

ZINC000100015771

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).

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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