BioLiP

PDB

BioLiP

PDB CCD ID:

IY8

Number of entries in BioLiP:

Chemical formula:

C19 H35 O6 P

InChI:

InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1

InChIKey:

KFPPYXMTKZSOKI-VGRIIWOTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
CACTVS 3.385	COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O
OpenEye OEToolkits 2.0.7	CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC
CACTVS 3.385	COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O

Name:

methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid

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).