Chemical Components in the PDB

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F3M : Summary

Code

F3M

One-letter code

X

Molecule name

methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate

Systematic names

ProgramVersionName
ACDLabs 11.02 methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate
OpenEye OEToolkits 1.6.1 methyl (3S,4R)-4-azanyl-5,5,5-trifluoro-3-hydroxy-pentanoate

Formula

C6 H10 F3 N O3

Formal charge

0

Molecular weight

201.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(OC)CC(O)C(N)C(F)(F)F
SMILES CACTVS 3.352 COC(=O)C[CH](O)[CH](N)C(F)(F)F
SMILES OpenEye OEToolkits 1.7.0 COC(=O)CC(C(C(F)(F)F)N)O
Canonical SMILES CACTVS 3.352 COC(=O)C[C@H](O)[C@@H](N)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.7.0 COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O

IUPAC InChI

InChI=1S/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1

IUPAC InChI key

ZVARBPCHAKEWAX-WVZVXSGGSA-N
F3M

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-09

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned