BioLiP

PDB

BioLiP

PDB CCD ID:

C6L

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O4

InChI:

InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1

InChIKey:

BJLILZXVIKTHKQ-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCC(=O)N[C@@H](CCO)C(O)=O
OpenEye OEToolkits 1.5.0	CCCCCC(=O)N[C@@H](CCO)C(=O)O
OpenEye OEToolkits 1.5.0	CCCCCC(=O)NC(CCO)C(=O)O
CACTVS 3.341	CCCCCC(=O)N[CH](CCO)C(O)=O
ACDLabs 10.04	O=C(O)C(NC(=O)CCCCC)CCO

Name:

N-hexanoyl-L-homoserine

DrugBank:

DB07532

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).