U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O22
Molecular Weight 680.5612
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-β-D-Glucopyranuronosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-α-D-galactopyranose

SMILES

OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O

InChI

InChIKey=MTRXWFBXGBSGQU-GAQDEKMDSA-N
InChI=1S/C24H40O22/c25-1-4-16(9(30)12(33)21(39)40-4)43-22-14(35)10(31)17(5(2-26)41-22)44-23-15(36)11(32)18(6(3-27)42-23)45-24-13(34)7(28)8(29)19(46-24)20(37)38/h4-19,21-36,39H,1-3H2,(H,37,38)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19+,21+,22-,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
O-β-D-Glucopyranuronosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-α-D-galactopyranose
Common Name English
α-D-Galactopyranose, O-β-D-glucopyranuronosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-
Common Name English
Streptococcus pneumoniae serotype 8 tetrasaccharide (O-β-D-Glucopyranuronosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-α-D-galactopyranose)
Common Name English
Code System Code Type Description
CAS
1887760-49-7
Created by admin on Sat Dec 16 20:08:13 GMT 2023 , Edited by admin on Sat Dec 16 20:08:13 GMT 2023
PRIMARY
FDA UNII
VGA33HX5T3
Created by admin on Sat Dec 16 20:08:13 GMT 2023 , Edited by admin on Sat Dec 16 20:08:13 GMT 2023
PRIMARY
PUBCHEM
156615262
Created by admin on Sat Dec 16 20:08:13 GMT 2023 , Edited by admin on Sat Dec 16 20:08:13 GMT 2023
PRIMARY