Streptococcus pneumoniae serotype 4 (ST4) tetrasaccharide with pyruvate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H53N3O22
Molecular Weight	843.7808
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Streptococcus pneumoniae serotype 4 (ST4) tetrasaccharide with pyruvate

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@@H]4O[C@@](C)(O[C@H]4[C@@H](O)O[C@@H]3CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H](NC(C)=O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5NC(C)=O)[C@@H]1O

InChI

InChIKey=MAAQETLXGRBKSB-WCPPPXFNSA-N

InChI=1S/C33H53N3O22/c1-9-19(43)24(55-29-16(34-10(2)40)22(46)20(44)13(6-37)52-29)17(35-11(3)41)30(50-9)56-25-18(36-12(4)42)31(53-14(7-38)21(25)45)54-23-15(8-39)51-28(47)27-26(23)57-33(5,58-27)32(48)49/h9,13-31,37-39,43-47H,6-8H2,1-5H3,(H,34,40)(H,35,41)(H,36,42)(H,48,49)/t9-,13+,14+,15+,16-,17-,18+,19+,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30-,31+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H53N3O22
Molecular Weight	843.7808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:03:41 GMT 2025` Edited by `admin` on `Wed Apr 02 18:03:41 GMT 2025`
Record UNII	5BL9W4K7LM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-2-(Acetylamino)-2-deoxy-?-D-mannopyranosyl-(1?3)-O-2-(acetylamino)-2,6-dideoxy-?-L-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?4)-2,3-O-[(1S)-1-carboxyethylidene]-?-D-galactopyranose

Preferred Name

English

Streptococcus pneumoniae serotype 4 (ST4) tetrasaccharide with pyruvate

Common Name

English

?-D-Galactopyranose, O-2-(acetylamino)-2-deoxy-?-D-mannopyranosyl-(1?3)-O-2-(acetylamino)-2,6-dideoxy-?-L-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?4)-2,3-O-[(1S)-1-carboxyethylidene]-

Common Name

English

Code System Code Type Description

CAS

1802543-83-4

Created by admin on Wed Apr 02 18:03:41 GMT 2025 , Edited by admin on Wed Apr 02 18:03:41 GMT 2025

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PUBCHEM

169490831

Created by admin on Wed Apr 02 18:03:41 GMT 2025 , Edited by admin on Wed Apr 02 18:03:41 GMT 2025

PRIMARY

FDA UNII

5BL9W4K7LM

Created by admin on Wed Apr 02 18:03:41 GMT 2025 , Edited by admin on Wed Apr 02 18:03:41 GMT 2025

PRIMARY

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