2FM

S-(DIFLUOROMETHYL)HOMOCYSTEINE

Created:	2003-05-28
Last modified:	2020-06-05

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1 entries where 2FM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

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Chemical Component Summary
Name	S-(DIFLUOROMETHYL)HOMOCYSTEINE
Synonyms	DIFLUOROMETHIONINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-(difluoromethylsulfanyl)butanoic acid
Formula	C₅ H₉ F₂ N O₂ S
Molecular Weight	185.192
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)SCCC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](CCSC(F)F)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CSC(F)F)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCSC(F)F)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CSC(F)F)[C@@H](C(=O)O)N
InChI	InChI	1.03	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	InChI	1.03	YHBNXKYHZMAFED-VKHMYHEASA-N

Drug Info: DrugBank

DrugBank ID	DB03816
Name	Difluoromethionine
Groups	experimental
Synonyms	Difluoromethionine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methionine--tRNA ligase	MTQVAKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFIC...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682