Chemical Components in the PDB

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C3X : Summary

Code

C3X

One-letter code

X

Molecule name

(2R)-oxiran-2-ylmethyl beta-D-xylopyranoside

Synonyms

2,3-EPOXYPROPYL-BETA-D-XYLOSIDE
(2R)-oxiran-2-ylmethyl beta-D-xyloside
(2R)-oxiran-2-ylmethyl D-xyloside
(2R)-oxiran-2-ylmethyl xyloside

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5R)-2-[[(2R)-oxiran-2-yl]methoxy]oxane-3,4,5-triol

Formula

C8 H14 O6

Formal charge

0

Molecular weight

206.193 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CC1OC1)C2OCC(O)C(O)C2O
SMILES CACTVS 3.341 O[CH]1CO[CH](OC[CH]2CO2)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(O1)COC2C(C(C(CO2)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1CO[C@@H](OC[C@H]2CO2)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O

IUPAC InChI

InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1

IUPAC InChI key

JKWGJZWJCPSTJC-JAJWTYFOSA-N
C3X

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

XYP

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned