BioLiP

PDB

BioLiP

PDB CCD ID:

TEO

Number of entries in BioLiP:

Chemical formula:

C4 H4 O5

InChI:

InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1

InChIKey:

QFBHYOKSQPPXHZ-UWTATZPHSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.5	C(=C(O)[O-])C(C(=O)[O-])O
OpenEye OEToolkits 1.7.5	C(=C(\O)/[O-])\[C@H](C(=O)[O-])O
CACTVS 3.385	O[CH](C=C(O)[O-])C([O-])=O
ACDLabs 10.04	[O-]/C(O)=C/C(O)C([O-])=O
CACTVS 3.385	O[C@H](\C=C(O)\[O-])C([O-])=O

Name:

MALATE LIKE INTERMEDIATE

DrugBank:

DB03343

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).