BioLiP

PDB

BioLiP

PDB CCD ID:

GPE

Number of entries in BioLiP:

Chemical formula:

C5 H14 N O6 P

InChI:

InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1

InChIKey:

JZNWSCPGTDBMEW-RXMQYKEDSA-N

SMILES:

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

Name:

L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE

DrugBank:

DB15872

ZINC:

ZINC000004095590

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).