BioLiP

PDB

BioLiP

PDB CCD ID:

DHG

Number of entries in BioLiP:

Chemical formula:

C20 H42 N O6 P

InChI:

InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1

InChIKey:

SLLQAGCLXXPCKZ-LJQANCHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)NC(CCCC)COP(=O)(O)OCCO
CACTVS 3.341	CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@](O)(=O)OCCO
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO
CACTVS 3.341	CCCCCCCCCCCC(=O)N[CH](CCCC)CO[P](O)(=O)OCCO
ACDLabs 10.04	O=P(OCC(NC(=O)CCCCCCCCCCC)CCCC)(OCCO)O

Name:

PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER

DrugBank:

DB07657

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).