BioLiP

PDB

BioLiP

PDB CCD ID:

A1ECN

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O2

InChI:

InChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1

InChIKey:

BZIBRGSBQKLEDC-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCNN1
OpenEye OEToolkits 2.0.7	C1CC(NNC1)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CCCNN1
OpenEye OEToolkits 2.0.7	C1C[C@H](NNC1)C(=O)O

Name:

(3~{S})-1,2-diazinane-3-carboxylic acid;
(S)-Hexahydropyridazine-3-carboxylic acid;
S-Piperazic acid;
(3S)-piperazate;
(3S)-Pyridazin-3-carboxylate

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).