The input CSDB structure is:
-3)[Ac(1-2)]aDFucpN(1-
Structure translated to atomic formula & SMILES:
Atomic structure
There is only one chemically distinct structure:
SVG
MW
SMILES
3D mol
Ionize
[*]O[C@@H]1[C@@H](NC(C)=O)[C@@H]([*])O[C@H](C)[C@@H]1O
187.195 g/mol (C
8
H
13
R
2
NO
4
, R = next and previous repeats, not counted in mol weight)
Try another conversion:
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Produce an error from unrecognized residues (otherwise add them as non-carbohydrate entities)
Remove terminal and reducing aglyca before conversion
Produce multiple entries from structures with alternative branches (otherwise use ALT)
Replace repeating subunits with oligomeric insertions before conversion
Produce larger fragments (three or more residues) for branching points
Consider closely-substituted linear fragments (e.g. 1-2 bonds) as branched
Destination format:
SMILES & 3D
GlycoCT β-test
WURCS 2.0
GLYCAM
GlycoCT (external)
GlycoCT XML (ext)
GlydeII XML
LinUCS
Fragmentize
Brutto descriptors
Namespace translator:
Glycome DB
Monosaccharide DB
no translation
Uncommon substituents:
None (strip them)
As substituents
As NON elements
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