Sialyllacto-N-tetraose C

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@@H](O)[C@H](O[C@]3([H])O[C@H](CO[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O

InChI

InChIKey=YGEZZXBBCMAYIQ-YPCJIGQMSA-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)61-9-18-23(53)26(56)27(57)34(64-18)66-30-20(39-11(2)46)33(62-16(7-43)24(30)54)67-32-25(55)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

Molecular Formula	C37H62N2O29
Molecular Weight	998.8842
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 19:29:53 GMT 2023` Edited by `admin` on `Sat Dec 16 19:29:53 GMT 2023`
Record UNII	S7V95AQ34F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sialyllacto-N-tetraose C

Common Name

English

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)-D-glucose

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801313060

Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023

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FDA UNII

S7V95AQ34F

Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023

PRIMARY

PUBCHEM

102003508

Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023

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CAS

155500-52-0

Created by admin on Sat Dec 16 19:29:53 GMT 2023 , Edited by admin on Sat Dec 16 19:29:53 GMT 2023

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