BioLiP

PDB

BioLiP

PDB CCD ID:

A1L35

Number of entries in BioLiP:

Chemical formula:

C10 H23 N O7 P

InChI:

InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/p+1/t10-/m1/s1

InChIKey:

RYCNUMLMNKHWPZ-SNVBAGLBSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
OpenEye OEToolkits 2.0.7	CC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
CACTVS 3.385	CC(=O)OC[C@@H](O)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.385	CC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C

Name:

2-[[(2~{R})-3-acetyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

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).