BioLiP

PDB

BioLiP

PDB CCD ID:

2FM

Number of entries in BioLiP:

Chemical formula:

C5 H9 F2 N O2 S

InChI:

InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1

InChIKey:

YHBNXKYHZMAFED-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CSC(F)F)[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](CCSC(F)F)C(O)=O
CACTVS 3.341	N[CH](CCSC(F)F)C(O)=O
OpenEye OEToolkits 1.5.0	C(CSC(F)F)C(C(=O)O)N
ACDLabs 10.04	FC(F)SCCC(C(=O)O)N

Name:

S-(DIFLUOROMETHYL)HOMOCYSTEINE;
DIFLUOROMETHIONINE

DrugBank:

DB03816

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).