BioLiP

PDB

BioLiP

PDB CCD ID:

PSE

Number of entries in BioLiP:

Chemical formula:

C3 H10 N O5 P

InChI:

InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1

InChIKey:

WDWYJNPKBKWDBL-GSVOUGTGSA-N

SMILES:

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

Name:

O-PHOSPHOETHANOLAMINE

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).