Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ABE : Summary

Code

ABE

One-letter code

X

Molecule name

alpha-D-Abequopyranose

Synonyms

alpha-D-Abequose
3,6-dideoxy-alpha-D-xylo-hexopyranose
3,6-dideoxy-alpha-D-gulopyranose
3,6-dideoxy-alpha-D-galactopyranose
3-deoxy-alpha-D-fucopyranose
D-Abequose
Abequose

Systematic names

ProgramVersionName
ACDLabs 10.04 3,6-dideoxy-alpha-D-xylo-hexopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,5R,6R)-6-methyloxane-2,3,5-triol

Formula

C6 H12 O4

Formal charge

0

Molecular weight

148.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(OC(O)C(O)C1)C
SMILES CACTVS 3.341 C[CH]1O[CH](O)[CH](O)C[CH]1O
SMILES OpenEye OEToolkits 1.5.0 CC1C(CC(C(O1)O)O)O
Canonical SMILES CACTVS 3.341 C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O

IUPAC InChI

InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

IUPAC InChI key

KYPWIZMAJMNPMJ-KAZBKCHUSA-N
ABE

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned