BioLiP

PDB

BioLiP

PDB CCD ID:

MCP

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O2

InChI:

InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1

InChIKey:

UQHCHLWYGMSPJC-PHDIDXHHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH]1CCN[CH](C1)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@@H]1CCN[C@H](C1)C(=O)O
ACDLabs 10.04	O=C(O)C1NCCC(C)C1
OpenEye OEToolkits 1.5.0	CC1CCNC(C1)C(=O)O
CACTVS 3.341	C[C@@H]1CCN[C@H](C1)C(O)=O

Name:

2-CARBOXY-4-METHYLPIPERIDINE

ZINC:

ZINC000006468261

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).