Chemical Components in the PDB

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NHF : Summary

Code

NHF

One-letter code

X

Molecule name

1,5-anhydro-D-fructose

Systematic names

ProgramVersionName
ACDLabs 10.04 1,5-anhydro-D-fructose
OpenEye OEToolkits 1.5.0 (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

Formula

C6 H10 O5

Formal charge

0

Molecular weight

162.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1COC(CO)C(O)C1O
SMILES CACTVS 3.341 OC[CH]1OCC(=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(=O)C(C(C(O1)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O

IUPAC InChI

InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1

IUPAC InChI key

OCLOLUFOLJIQDC-HSUXUTPPSA-N
NHF

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-20

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned