BioLiP

PDB

BioLiP

PDB CCD ID:

GZ3

Number of entries in BioLiP:

Chemical formula:

C4 H7 O5 P

InChI:

InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)/b3-2+

InChIKey:

XGDAHZFVQMTYCT-NSCUHMNNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=C/[P](O)(O)=O)\C(O)=O
OpenEye OEToolkits 1.7.6	C/C(=C\P(=O)(O)O)/C(=O)O
OpenEye OEToolkits 1.7.6	CC(=CP(=O)(O)O)C(=O)O
CACTVS 3.385	CC(=C[P](O)(O)=O)C(O)=O
ACDLabs 12.01	O=P(O)(O)\C=C(\C(=O)O)C

Name:

(E)-2-METHYL-3-PHOSPHONOACRYLATE

ChEMBL:

CHEMBL1818156

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).