BioLiP

PDB

BioLiP

PDB CCD ID:

L2C

Number of entries in BioLiP:

Chemical formula:

C24 H46 O5

InChI:

InChI=1S/C24H46O5/c1-3-5-7-9-11-12-13-15-16-18-23(26)28-21-22(20-25)29-24(27)19-17-14-10-8-6-4-2/h22,25H,3-21H2,1-2H3/t22-/m0/s1

InChIKey:

MYFVXYUACRBWGD-QFIPXVFZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC
ACDLabs 10.04	O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC

Name:

(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE

ZINC:

ZINC000058638724

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).