BioLiP

PDB

BioLiP

PDB CCD ID:

FXY

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O

InChI:

InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1

InChIKey:

YWFHDUFNGSJLTL-SECBINFHSA-N

SMILES:

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

Name:

1-METHYLHEPTYLFORMAMIDE;
N-1-METHYLHEPTYLFORMAMIDE

DrugBank:

DB02131

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).