BioLiP

PDB

BioLiP

PDB CCD ID:

G01

Number of entries in BioLiP:

Chemical formula:

C6 H12 N O6 P

InChI:

InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1

InChIKey:

XVXVUGZUKCQIOK-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CP(=O)(NC(CCC(=O)O)C(=O)O)O
CACTVS 3.341	C[P](O)(=O)N[CH](CCC(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)CCC(NP(=O)(O)C)C(=O)O
CACTVS 3.341	C[P@](O)(=O)N[C@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O

Name:

N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid;
N-PHOSPHONOMETHYL-D-GLUTAMIC ACID

ChEMBL:

CHEMBL1232884

ZINC:

ZINC000034279157

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).