Sialyllacto-N-tetraose b

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H62N2O29
Molecular Weight	998.8842
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@H](O[C@]2([H])O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]2NC(C)=O)[C@H]1O

InChI

InChIKey=SFMRPVLZMVJKGZ-JRZQLMJNSA-N

InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-25(55)30(66-34-27(57)26(56)23(53)16(7-43)62-34)20(39-11(2)46)33(64-18)67-32-24(54)17(8-44)63-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Sialyllacto-N-tetraose b

Common Name

English

LS-tetrasaccharide b

Common Name

English

D-Glucose, O-(N-acetyl-α-neuraminosyl)-(2→6)-O-[β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-

Systematic Name

English

Lacto-N-sialylpentaose b

Common Name

English

(2S,4S,5R,6R)-5-acetamido-2-((((2R,3R,4S,5R,6R)-6-(((2S,3R,4R,5S,6R)-3-acetamido-2-(((2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(((2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-5-hydroxy

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80401591

Created by admin on Sat Dec 16 19:29:51 GMT 2023 , Edited by admin on Sat Dec 16 19:29:51 GMT 2023

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FDA UNII

BB9EYQ6XEE

Created by admin on Sat Dec 16 19:29:51 GMT 2023 , Edited by admin on Sat Dec 16 19:29:51 GMT 2023

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CAS

64003-54-9

Created by admin on Sat Dec 16 19:29:51 GMT 2023 , Edited by admin on Sat Dec 16 19:29:51 GMT 2023

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PUBCHEM

53477864

Created by admin on Sat Dec 16 19:29:51 GMT 2023 , Edited by admin on Sat Dec 16 19:29:51 GMT 2023

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SUBSTANCE RECORD


					BB9EYQ6XEE

Sialyllacto-N-tetraose b