BioLiP

PDB

BioLiP

PDB CCD ID:

E4P

Number of entries in BioLiP:

Chemical formula:

C4 H9 O7 P

InChI:

InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1

InChIKey:

NGHMDNPXVRFFGS-IUYQGCFVSA-N

SMILES:

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

Name:

ERYTHOSE-4-PHOSPHATE

ChEMBL:

CHEMBL1232448

DrugBank:

DB03937

ZINC:

ZINC000032786787

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).