BioLiP

PDB

BioLiP

PDB CCD ID:

79M

Number of entries in BioLiP:

Chemical formula:

C19 H36 O4

InChI:

InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1

InChIKey:

OWGMAJRKMYGYBQ-HJCTWCACSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
ACDLabs 12.01	O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
CACTVS 3.385	CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385	CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.9.2	CCCCCCCCC=CCCCCCC(=O)OCC(CO)O

Name:

(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate;
[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate

ZINC:

ZINC000098208566

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).