BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7K

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O3

InChI:

InChI=1S/C8H14N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h5-6H,1-4,9H2,(H,10,11)(H,12,13)/t5-,6-/m0/s1

InChIKey:

OVWKHGGFYXIBGJ-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CC(C(=O)NC1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	C1C[C@H](C(=O)NC1)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](C[CH]1CCCNC1=O)C(O)=O
CACTVS 3.385	N[C@@H](C[C@@H]1CCCNC1=O)C(O)=O

Name:

(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanoic acid;
(S)-2-amino-3-((S)-2-oxopiperidin-3-yl)propanoic acid

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).