O-α-D-Galactopyranosyl-(1→2)-O-3-O-[hydroxy[2-hydroxy-1-(hydroxymethyl)ethoxy]phosphinyl]-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H62NO31P
Molecular Weight	1023.8286
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-α-D-Galactopyranosyl-(1→2)-O-3-O-[hydroxy[2-hydroxy-1-(hydroxymethyl)ethoxy]phosphinyl]-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Structure Search

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OP(O)(=O)OC(CO)CO)[C@H]2O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@H]1O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)[C@@H]4O

InChI

InChIKey=PLZJVXZTHLKJAO-GMGZBCQHSA-N

InChI=1S/C35H62NO31P/c1-9(44)36-16-20(48)26(15(8-43)61-32(16)64-28-18(46)12(5-40)59-34(25(28)53)62-27-14(7-42)57-31(54)23(51)22(27)50)63-35-30(65-33-24(52)21(49)17(45)11(4-39)58-33)29(19(47)13(6-41)60-35)67-68(55,56)66-10(2-37)3-38/h10-35,37-43,45-54H,2-8H2,1H3,(H,36,44)(H,55,56)/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21+,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H62NO31P
Molecular Weight	1023.8286
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:59:18 GMT 2023` Edited by `admin` on `Sat Dec 16 19:59:18 GMT 2023`
Record UNII	4K37XA9RMR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-α-D-Galactopyranosyl-(1→2)-O-3-O-[hydroxy[2-hydroxy-1-(hydroxymethyl)ethoxy]phosphinyl]-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Common Name

English

Streptococcus pneumoniae serotypes 11A polysaccharide repeat unit

Common Name

English

β-D-Glucopyranose, O-α-D-galactopyranosyl-(1→2)-O-3-O-[hydroxy[2-hydroxy-1-(hydroxymethyl)ethoxy]phosphinyl]-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-

Common Name

English

Code System Code Type Description

FDA UNII

4K37XA9RMR

Created by admin on Sat Dec 16 19:59:18 GMT 2023 , Edited by admin on Sat Dec 16 19:59:18 GMT 2023

PRIMARY

CAS

798561-05-4

Created by admin on Sat Dec 16 19:59:18 GMT 2023 , Edited by admin on Sat Dec 16 19:59:18 GMT 2023

PRIMARY