BioLiP

PDB

BioLiP

PDB CCD ID:

NWH

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O

InChI:

InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1

InChIKey:

GFVRKPKAQHTAQK-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCC[C@H](C)NC=O
CACTVS 3.385	CCCCC[CH](C)NC=O
ACDLabs 12.01 OpenEye OEToolkits 2.0.6	CCCCCC(C)NC=O

Name:

N-[(2S)-heptan-2-yl]formamide;
(S)-N-1-methylhexylformamide

DrugBank:

DB03061

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).