BioLiP

PDB

BioLiP

PDB CCD ID:

XSP

Number of entries in BioLiP:

Chemical formula:

C3 H5 O7 P

InChI:

InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1

InChIKey:

KBLQTRXAGCIRPZ-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)[CH](O[P](O)(O)=O)C=O
OpenEye OEToolkits 1.7.6	C(=O)[C@H](C(=O)O)OP(=O)(O)O
CACTVS 3.370	OC(=O)[C@H](O[P](O)(O)=O)C=O
ACDLabs 12.01	O=P(OC(C=O)C(=O)O)(O)O
OpenEye OEToolkits 1.7.6	C(=O)C(C(=O)O)OP(=O)(O)O

Name:

(2R)-3-oxo-2-(phosphonooxy)propanoic acid;
D-tartronate semialdehyde 2-phosphate

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).