BioLiP

PDB

BioLiP

PDB CCD ID:

44E

Number of entries in BioLiP:

Chemical formula:

C15 H29 O8 P

InChI:

InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1

InChIKey:

SFZZRGHNPILUOD-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC
CACTVS 3.385	CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC
CACTVS 3.385	CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCC
ACDLabs 12.01	O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC
OpenEye OEToolkits 1.9.2	CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC

Name:

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

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).