BioLiP

PDB

BioLiP

PDB CCD ID:

LSP

Number of entries in BioLiP:

Chemical formula:

C7 H17 N O7 P

InChI:

InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1

InChIKey:

CWRILEGKIAOYKP-ZETCQYMHSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O
CACTVS 3.341	CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+]
CACTVS 3.341	CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+]
ACDLabs 10.04	O=C(OCC(O)COP(=O)(OCC[NH3+])O)C
OpenEye OEToolkits 1.5.0	CC(=O)OCC(COP(=O)(O)OCC[NH3+])O

Name:

(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE;
1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

DrugBank:

DB04731

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).