Chemical Components in the PDB

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IVG : Summary

Code

IVG

One-letter code

X

Molecule name

D-Xylose, 4-O-beta-D-xylopyranosyl-

Synonyms

Xylobiose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal

Formula

C10 H18 O9

Formal charge

0

Molecular weight

282.245 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(C(O1)OC(CO)C(C(C=O)O)O)O)O)O
Canonical SMILES CACTVS 3.385 OC[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O

IUPAC InChI

InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1

IUPAC InChI key

SQNRKWHRVIAKLP-RSZZQXBVSA-N
IVG

wwPDB Information

Atom count

37 (19 without Hydrogen)

Polymer type

Saccharide

Type description

saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

XYP

Defined at

2022-04-14

Last modified at

2023-03-31

Status

Released

Obsoleted

Not Assigned