BioLiP

PDB

BioLiP

PDB CCD ID:

DEZ

Number of entries in BioLiP:

Chemical formula:

C4 H9 O8 P

InChI:

InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1

InChIKey:

ZCZXOHUILRHRQJ-PWNYCUMCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[C@H](CO[P](O)(O)=O)[C@@H](O)C(O)=O
ACDLabs 10.04	O=P(O)(O)OCC(O)C(O)C(=O)O
CACTVS 3.341	O[CH](CO[P](O)(O)=O)[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(C(=O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O

Name:

4-PHOSPHO-D-ERYTHRONATE

ChEMBL:

CHEMBL1160945

DrugBank:

DB03108

ZINC:

ZINC000003869897

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).