BioLiP

PDB

BioLiP

PDB CCD ID:

TIS

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O5

InChI:

InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1

InChIKey:

DALCJGCDZOPHKZ-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(O)(O)OCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)COC(O)(O)C
CACTVS 3.341	CC(O)(O)OC[C@H](N)C(O)=O
CACTVS 3.341	CC(O)(O)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(O)(O)OC[C@@H](C(=O)O)N

Name:

O-(1,1-dihydroxyethyl)-L-serine

ZINC:

ZINC000058638475

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).