Core 1 glycan structure

Cross-references

GlyTouCan : G16370GQ

GlyGen : G16370GQ

ChEBI : 148099

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Composition

Hex:1 HexNAc:2 NeuAc:2

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IUPAC

GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
5s:n-acetyl
6b:b-dgal-HEX-1:5
7s:n-acetyl
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+2)4d
4:4d(5+1)5n
5:3o(4+1)6d
6:6d(2+1)7n
7:1o(6+2)8d
8:8d(5+1)9n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O

InCHI key

ZGRPIJOCUMDSED-ODIJARMDSA-N

InCHI

InChI=1S/C44H72N4O32/c1-12(53)45-23-16(57)5-43(41(68)69,78-35(23)27(61)18(59)7-49)72-11-22-30(64)34(26(38(67)73-22)48-15(4)56)77-40-32(66)37(33(21(10-52)75-40)76-39-25(47-14(3)55)31(65)29(63)20(9-51)74-39)80-44(42(70)71)6-17(58)24(46-13(2)54)36(79-44)28(62)19(60)8-50/h16-40,49-52,57-67H,5-11H2,1-4H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,68,69)(H,70,71)/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-,43+,44-/m0/s1