Chemical Components in the PDB

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CDR : Summary

Code

CDR

One-letter code

X

Molecule name

(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol

Synonyms

2,3-DIDEOXYFUCOSE

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol
OpenEye OEToolkits 1.7.6 (2R,5S,6R)-6-methyloxane-2,5-diol

Formula

C6 H12 O3

Formal charge

0

Molecular weight

132.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(OC(O)CC1)C
SMILES CACTVS 3.385 C[CH]1O[CH](O)CC[CH]1O
SMILES OpenEye OEToolkits 1.7.6 CC1C(CCC(O1)O)O
Canonical SMILES CACTVS 3.385 C[C@H]1O[C@@H](O)CC[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1[C@H](CC[C@@H](O1)O)O

IUPAC InChI

InChI=1S/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1

IUPAC InChI key

ZCYMCBOUZXAAJG-NGJCXOISSA-N
CDR

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta 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