BioLiP

PDB

BioLiP

PDB CCD ID:

A1BHZ

Number of entries in BioLiP:

Chemical formula:

C5 H7 O8 P

InChI:

InChI=1S/C5H7O8P/c6-3(7)1-2(4(8)9)5(10)14(11,12)13/h1,5,10H,(H,6,7)(H,8,9)(H2,11,12,13)/b2-1+/t5-/m1/s1

InChIKey:

HGGAWKPCOKYWSX-INIHDHCDSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	OC(=O)\C(=C/C(=O)O)C(O)P(=O)(O)O
OpenEye OEToolkits 3.1.0.0	C(=C(C(O)P(=O)(O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 3.1.0.0	C(=C(/[C@H](O)P(=O)(O)O)\C(=O)O)\C(=O)O
CACTVS 3.385	O[CH](C(=CC(O)=O)C(O)=O)[P](O)(O)=O
CACTVS 3.385	O[C@@H](C(=C/C(O)=O)/C(O)=O)[P](O)(O)=O

Name:

(R)-pantaphos;
(2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid

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).