BioLiP

PDB

BioLiP

PDB CCD ID:

APP

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O3

InChI:

InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1

InChIKey:

JACZWLDAHFCGCC-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)N1CCCCC1C(=O)O
OpenEye OEToolkits 1.5.0	CC(=O)N1CCCC[C@H]1C(=O)O
CACTVS 3.341	CC(=O)N1CCCC[CH]1C(O)=O
CACTVS 3.341	CC(=O)N1CCCC[C@H]1C(O)=O
ACDLabs 10.04	O=C(N1C(C(=O)O)CCCC1)C

Name:

1-ACETYL-2-CARBOXYPIPERIDINE

DrugBank:

DB07384

ZINC:

ZINC000169386053

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).