Disialyllacto-N-tetraose

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H79N3O37
Molecular Weight	1290.1388
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
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@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]2NC(C)=O)[C@H]1O

InChI

InChIKey=BTDPEAPRLHRFIA-VYZFFVDYSA-N

InChI=1S/C48H79N3O37/c1-13(58)49-25-16(61)4-47(45(75)76,86-38(25)29(68)19(64)7-53)79-12-24-33(72)37(27(51-15(3)60)42(82-24)85-40-31(70)22(10-56)80-43(34(40)73)83-36(21(66)9-55)28(67)18(63)6-52)84-44-35(74)41(32(71)23(11-57)81-44)88-48(46(77)78)5-17(62)26(50-14(2)59)39(87-48)30(69)20(65)8-54/h6,16-44,53-57,61-74H,4-5,7-12H2,1-3H3,(H,49,58)(H,50,59)(H,51,60)(H,75,76)(H,77,78)/t16-,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-,44-,47+,48-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Disialyllacto-N-tetraose

Common Name

English

Di-N-Acetylneuraminosyllacto-N-tetraose

Common Name

English

(2R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2R,3R,4S,5S,6R)-4-{[(2S,4S,5R,6R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801045136

Created by admin on Sat Dec 16 19:15:38 GMT 2023 , Edited by admin on Sat Dec 16 19:15:38 GMT 2023

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PUBCHEM

102408290

Created by admin on Sat Dec 16 19:15:38 GMT 2023 , Edited by admin on Sat Dec 16 19:15:38 GMT 2023

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FDA UNII

9CM5FJZ8AR

Created by admin on Sat Dec 16 19:15:38 GMT 2023 , Edited by admin on Sat Dec 16 19:15:38 GMT 2023

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CAS

61278-38-4

Created by admin on Sat Dec 16 19:15:38 GMT 2023 , Edited by admin on Sat Dec 16 19:15:38 GMT 2023

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SUBSTANCE RECORD


					9CM5FJZ8AR

Disialyllacto-N-tetraose