Chemical Components in the PDB

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49T : Summary

Code

49T

One-letter code

X

Molecule name

2-acetamido-2-deoxy-alpha-D-fucopyranose

Synonyms

2-acetamido-2,6-deoxy-alpha-D-galactopyranose
6-deoxy-N-acetyl-alpha-D-galactosamine
N-acetyl-alpha-D-fucopyranosamine
2-acetamido-2-deoxy-alpha-D-fucose
2-acetamido-2-deoxy-D-fucose
2-acetamido-2-deoxy-fucose
2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose
OpenEye OEToolkits 1.9.2 N-[(2S,3R,4R,5R,6R)-6-methyl-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

Formula

C8 H15 N O5

Formal charge

0

Molecular weight

205.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC1C(O)C(O)C(OC1O)C)C
SMILES CACTVS 3.385 C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.9.2 CC1C(C(C(C(O1)O)NC(=O)C)O)O
Canonical SMILES CACTVS 3.385 C[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.9.2 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O

IUPAC InChI

InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8+/m1/s1

IUPAC InChI key

XOCCAGJZGBCJME-VDUCJHRSSA-N
49T

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2015-02-18

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned