BioLiP

PDB

BioLiP

PDB CCD ID:

VVA

Number of entries in BioLiP:

Chemical formula:

C21 H44 N O6 P

InChI:

InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)

InChIKey:

KBKQEKNZSDBGFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCCCCC(=O)OCCO[P](O)(=O)OCCN
ACDLabs 12.01	O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O
OpenEye OEToolkits 2.0.4	CCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN

Name:

2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate

ZINC:

ZINC000584905742

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).