BioLiP

PDB

BioLiP

PDB CCD ID:

PAS

Number of entries in BioLiP:

Chemical formula:

C4 H8 N O7 P

InChI:

InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1/f/h7,9-10H

InChIKey:

IXZNKTPIYKDIGG-ANURBJKSDQ

SMILES:

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

Name:

2-AMINO-4-OXO-4-PHOSPHONOOXY-BUTYRIC ACID;
PHOSPHORYLATED ASPARTATE

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).