BioLiP

PDB

BioLiP

PDB CCD ID:

VHY

Number of entries in BioLiP:

Chemical formula:

C11 H21 O8 P

InChI:

InChI=1S/C11H21O8P/c1-3-5-10(12)17-7-9(8-18-20(14,15)16)19-11(13)6-4-2/h9H,3-8H2,1-2H3,(H2,14,15,16)/t9-/m1/s1

InChIKey:

RHPFHHIXMKPONY-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCC
OpenEye OEToolkits 2.0.7	CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC
CACTVS 3.385	CCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCC
ACDLabs 12.01	CCCC(OCC(OC(=O)CCC)COP(=O)(O)O)=O
CACTVS 3.385	CCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCC

Name:

(2R)-3-(phosphonooxy)propane-1,2-diyl dibutanoate

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).