BioLiP

PDB

BioLiP

PDB CCD ID:

EA2

Number of entries in BioLiP:

Chemical formula:

C2 H9 N O7 P2

InChI:

InChI=1S/C2H9NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h1-3H2,(H,7,8)(H2,4,5,6)

InChIKey:

VOBNSQKMDIOJTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(COP(=O)(O)OP(=O)(O)O)N
OpenEye OEToolkits 1.5.0	C(CO[P@@](=O)(O)OP(=O)(O)O)N
CACTVS 3.341	NCCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341	NCCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04	O=P(O)(OP(=O)(OCCN)O)O

Name:

AMINOETHANOLPYROPHOSPHATE

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).