Chemical Components in the PDB

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MFB : Summary

Code

MFB

One-letter code

X

Molecule name

methyl beta-L-fucopyranoside

Synonyms

BETA-L-METHYL-FUCOSE
methyl 6-deoxy-beta-L-galactopyranoside
methyl beta-L-fucoside
methyl L-fucoside
methyl fucoside

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl 6-deoxy-beta-L-galactopyranoside
OpenEye OEToolkits 1.5.0 (2S,3S,4R,5S,6S)-2-methoxy-6-methyl-oxane-3,4,5-triol

Formula

C7 H14 O5

Formal charge

0

Molecular weight

178.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)C(O)C(OC1OC)C
SMILES CACTVS 3.341 CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CC1C(C(C(C(O1)OC)O)O)O
Canonical SMILES CACTVS 3.341 CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O

IUPAC InChI

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1

IUPAC InChI key

OHWCAVRRXKJCRB-XUVCUMPTSA-N
MFB

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

FUL

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned