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

[H][C@@]12O[C@](C)(O[C@@]1([H])[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5NC(C)=O)[C@@H]4NC(C)=O)[C@H]3NC(C)=O)[C@@H](CO)O[C@@H]2O)C(O)=O

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 `Sat Dec 16 20:01:30 GMT 2023` Edited by `admin` on `Sat Dec 16 20:01:30 GMT 2023`
Record UNII	5BL9W4K7LM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Streptococcus pneumoniae serotype 4 (ST4) tetrasaccharide with pyruvate

Common Name

English

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

Common Name

English

α-D-Galactopyranose, O-2-(acetylamino)-2-deoxy-β-D-mannopyranosyl-(1→3)-O-2-(acetylamino)-2,6-dideoxy-α-L-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-α-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 Sat Dec 16 20:01:30 GMT 2023 , Edited by admin on Sat Dec 16 20:01:30 GMT 2023

PRIMARY

FDA UNII

5BL9W4K7LM

Created by admin on Sat Dec 16 20:01:30 GMT 2023 , Edited by admin on Sat Dec 16 20:01:30 GMT 2023

PRIMARY

Related Record Type Details


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STREPTOCOCCUS PNEUMONIAE SEROTYPE 4 WHOLE

PARENT ORGANISM -> PART/FRACTION

Amount: