BioLiP

PDB

BioLiP

PDB CCD ID:

8YR

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1

InChIKey:

HAKFKLNJIKJGET-WHFBIAKZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1COC[C@H]1[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	C1COCC1C(C(=O)O)N
CACTVS 3.385	N[CH]([CH]1CCOC1)C(O)=O
CACTVS 3.385	N[C@@H]([C@H]1CCOC1)C(O)=O

Name:

(2S)-2-azanyl-2-[(3R)-oxolan-3-yl]ethanoic acid

ZINC:

ZINC000012506592

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).