BioLiP

PDB

BioLiP

PDB CCD ID:

SDP

Number of entries in BioLiP:

Chemical formula:

C7 H16 N O6 P

InChI:

InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1

InChIKey:

MOFCKRBDMJNCOC-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCO[P](=O)(OCC)OC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)COP(=O)(OCC)OCC
CACTVS 3.341	CCO[P](=O)(OCC)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCOP(=O)(OCC)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CCOP(=O)(OCC)OC[C@@H](C(=O)O)N

Name:

2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID

DrugBank:

DB02364

ZINC:

ZINC000006595392

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).