Streptococcus pneumoniae Type 17F capsular heptasaccharide repeat unit

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H75O36P
Molecular Weight	1199.0078
Optical Activity	UNSPECIFIED
Defined Stereocenters	33 / 33
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Streptococcus pneumoniae Type 17F capsular heptasaccharide repeat unit

Structure Search

SMILES

C[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](C)O[C@H](O[C@H]6[C@H](C)O[C@@H](O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H]6O)[C@@H]4OC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=XWGBKNZPRHRSMX-FEENBOMBSA-N

InChI=1S/C43H75O36P/c1-10-19(50)23(54)27(58)39(67-10)77-34-17(8-47)73-41(30(61)26(34)57)78-35-22(53)16(7-46)72-42(31(35)62)79-36-33(76-40-28(59)24(55)21(52)15(6-45)71-40)12(3)69-43(37(36)70-13(4)48)75-32-11(2)68-38(29(60)25(32)56)74-18(9-66-80(63,64)65)20(51)14(49)5-44/h10-12,14-47,49-62H,5-9H2,1-4H3,(H2,63,64,65)/t10-,11-,12-,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H75O36P
Molecular Weight	1199.0078
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	33 / 33
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:11:57 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:57 GMT 2023`
Record UNII	P87S3EP9CN
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Streptococcus pneumoniae Type 17F capsular heptasaccharide repeat unit

Common Name

English

D-Arabinitol, O-6-deoxy-β-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-O-2-O-acetyl-6-deoxy-β-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-, 1-(dihydrogen pho

Common Name

English

O-6-deoxy-β-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-O-2-O-acetyl-6-deoxy-β-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-, 1-(dihydrogen phosphate)D-Arabi

Common Name

English

Code System Code Type Description

FDA UNII

P87S3EP9CN

Created by admin on Sat Dec 16 20:11:57 GMT 2023 , Edited by admin on Sat Dec 16 20:11:57 GMT 2023

PRIMARY

CAS

273933-41-8

Created by admin on Sat Dec 16 20:11:57 GMT 2023 , Edited by admin on Sat Dec 16 20:11:57 GMT 2023

PRIMARY