BioLiP

PDB

BioLiP

PDB CCD ID:

VLS

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O5

InChI:

InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)

InChIKey:

SEQKRHFRPICQDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(=O)O)NC(CO)(CO)CO
ACDLabs 12.01	C(CNC(CO)(CO)CO)(O)=O
CACTVS 3.385	OCC(CO)(CO)NCC(O)=O

Name:

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine

ZINC:

ZINC000001587260

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).