BioLiP

PDB

BioLiP

PDB CCD ID:

PHY

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O7 P2

InChI:

InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1

InChIKey:

BAIYWTZQRMCJBV-DKDXWZAISA-N

SMILES:

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

Name:

1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID

ZINC:

ZINC000001532435

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).