Chemical Components in the PDB

pdbe.org/chem
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  • HSQ (Stereoisomer)
  • NAG (Stereoisomer)
  • A2G (Stereoisomer)
  • NAA (Stereoisomer)
  • NGZ (Stereoisomer)
  • LXZ (Stereoisomer)
  • NGA (Stereoisomer)
  • BM3 (Stereoisomer)
  • NDG (Stereoisomer)
  • LXB (Stereoisomer)

BM7 : Summary

Code

BM7

One-letter code

X

Molecule name

2-(acetylamino)-2-deoxy-beta-D-mannopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(acetylamino)-2-deoxy-beta-D-mannopyranose
OpenEye OEToolkits 1.9.2 N-[(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

Formula

C8 H15 N O6

Formal charge

0

Molecular weight

221.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(OC(C(C(C1NC(=O)C)O)O)CO)O
SMILES CACTVS 3.385 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.9.2 CC(=O)NC1C(C(C(OC1O)CO)O)O
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.9.2 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-/m1/s1

IUPAC InChI key

OVRNDRQMDRJTHS-OZRXBMAMSA-N
BM7

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2015-05-13

Last modified at

2016-05-27

Status

Released

Obsoleted

Not Assigned