Chemical Components in the PDB

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Z6G : Summary

Code

Z6G

One-letter code

X

Molecule name

3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose
OpenEye OEToolkits 1.7.6 [(2S,3R,4S,6R)-2-methyl-3,6-bis(oxidanyl)oxan-4-yl]azanium

Formula

C6 H14 N O3

Formal charge

1

Molecular weight

148.18 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(OC(O)CC1[NH3+])C
SMILES CACTVS 3.370 C[CH]1O[CH](O)C[CH]([NH3+])[CH]1O
SMILES OpenEye OEToolkits 1.7.6 CC1C(C(CC(O1)O)[NH3+])O
Canonical SMILES CACTVS 3.370 C[C@@H]1O[C@@H](O)C[C@H]([NH3+])[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O)[NH3+])O

IUPAC InChI

InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/p+1/t3-,4-,5+,6-/m0/s1

IUPAC InChI key

BBMKQGIZNKEDOX-AZGQCCRYSA-O
Z6G

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Saccharide

Type description

SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-17

Last modified at

2022-12-02

Status

Released

Obsoleted

Not Assigned