BioLiP

PDB

BioLiP

PDB CCD ID:

LYW

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O

InChI:

InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1

InChIKey:

TZJGKUCHNFFHGN-LURJTMIESA-N

SMILES:

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

Name:

1-AMINO-1-CARBONYL PENTANE

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).