BioLiP

PDB

BioLiP

PDB CCD ID:

3K4

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O2

InChI:

InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1

InChIKey:

QOISFPILRGBKKL-HRFVKAFMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1C(N1)C(=O)O
ACDLabs 12.01	O=C(O)C1NC1C
CACTVS 3.385	C[CH]1N[CH]1C(O)=O
CACTVS 3.385	C[C@@H]1N[C@@H]1C(O)=O
OpenEye OEToolkits 1.7.6	C[C@H]1[C@H](N1)C(=O)O

Name:

(2S,3S)-3-methylaziridine-2-carboxylic 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).