BioLiP

PDB

BioLiP

PDB CCD ID:

OH0

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O4

InChI:

InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)

InChIKey:

DOYDHAWEPMQVFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCC(=O)N(O)CCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCC(=O)N(CCC(=O)O)O
ACDLabs 12.01	O=C(O)CCN(O)C(=O)CCCCCC

Name:

N-heptanoyl-N-hydroxy-beta-alanine

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).