BioLiP

PDB

BioLiP

PDB CCD ID:

X2W

Number of entries in BioLiP:

Chemical formula:

C7 H12 N O8 P

InChI:

InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1

InChIKey:

FCVIHFVSXHOPSW-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O
CACTVS 3.352	CC(=O)N[C@@H](CCC(=O)O[P](O)(O)=O)C(O)=O
ACDLabs 10.04	O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C
CACTVS 3.352	CC(=O)N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1	CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O

Name:

N-ACETYL-L-GLUTAMYL 5-PHOSPHATE;
N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE

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).