BioLiP

PDB

BioLiP

PDB CCD ID:

FAW

Number of entries in BioLiP:

Chemical formula:

C31 H60 O5

InChI:

InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1

InChIKey:

JFBCSFJKETUREV-LJAQVGFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC
ACDLabs 12.01	O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2	CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC

Name:

(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate

ZINC:

ZINC000030731360

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).