Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer
Collapse Download Links
Collapse Related compounds
  • LXZ (Stereoisomer)
  • NAG (Stereoisomer)
  • BM7 (Stereoisomer)
  • NGA (Stereoisomer)
  • LXB (Stereoisomer)
  • BM3 (Stereoisomer)
  • NDG (Stereoisomer)
  • NAA (Stereoisomer)
  • NGZ (Stereoisomer)
  • A2G (Stereoisomer)
Collapse 3D-Views
Collapse PDB Links

HSQ : Summary

Code

HSQ

One-letter code

X

Molecule name

2-acetylamino-2-deoxy-alpha-L-idopyranose

Synonyms

N-acetyl-alpha-L-idosamine
2-acetylamino-2-deoxy-alpha-L-idose
2-acetylamino-2-deoxy-L-idose
2-acetylamino-2-deoxy-idose
2-(acetylamino)-2-deoxy-alpha-L-idopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(acetylamino)-2-deoxy-alpha-L-idopyranose
OpenEye OEToolkits 1.7.0 N-[(2R,3R,4R,5S,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

Formula

C8 H15 N O6

Formal charge

0

Molecular weight

221.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC1C(O)C(O)C(OC1O)CO)C
SMILES CACTVS 3.370 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 CC(=O)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES CACTVS 3.370 CC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O

IUPAC InChI

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m0/s1

IUPAC InChI key

OVRNDRQMDRJTHS-SLBCVNJHSA-N
HSQ

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-16

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned