BioLiP

PDB

BioLiP

PDB CCD ID:

4UD

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O3

InChI:

InChI=1S/C5H8N2O3/c6-4(5(8)9)3-1-2-7-10-3/h2-4H,1,6H2,(H,8,9)/t3-,4-/m0/s1

InChIKey:

CHVHVQLSTPEEOL-IMJSIDKUSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1=NOC(C(C(O)=O)N)C1
OpenEye OEToolkits 1.9.2	C1C=NOC1C(C(=O)O)N
CACTVS 3.385	N[CH]([CH]1CC=NO1)C(O)=O
OpenEye OEToolkits 1.9.2	C1C=NO[C@@H]1[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H]([C@@H]1CC=NO1)C(O)=O

Name:

(2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic 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).