Chemical Components in the PDB

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AFO : Summary

Code

AFO

One-letter code

X

Molecule name

octyl alpha-D-arabinofuranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 octyl alpha-D-arabinofuranoside
OpenEye OEToolkits 1.7.0 (2R,3S,4S,5S)-2-(hydroxymethyl)-5-octoxy-oxolane-3,4-diol

Formula

C13 H26 O5

Formal charge

0

Molecular weight

262.343 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(CCCCCCCC)C1OC(C(O)C1O)CO
SMILES CACTVS 3.370 CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 CCCCCCCCOC1C(C(C(O1)CO)O)O
Canonical SMILES CACTVS 3.370 CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O

IUPAC InChI

InChI=1S/C13H26O5/c1-2-3-4-5-6-7-8-17-13-12(16)11(15)10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1

IUPAC InChI key

DULPXMOVQIYGDB-NDBYEHHHSA-N
AFO

wwPDB Information

Atom count

44 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

BXY

Defined at

2010-12-06

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned