Chemical Components in the PDB

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KFN : Summary

Code

KFN

One-letter code

X

Molecule name

2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid

Synonyms

(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

Formula

C9 H14 O8

Formal charge

0

Molecular weight

250.203 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 1.6.1 C1=C(OC(C(C1O)O)C(C(CO)O)O)C(=O)O
Canonical SMILES CACTVS 3.352 OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O

IUPAC InChI

InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1

IUPAC InChI key

IZHMZNLAOQHCDZ-LRGKAINGSA-N
KFN

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-26

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned