Core 2 glycan structure

Cross-references

GlyTouCan : G68391RZ

GlyGen : G68391RZ

ChEBI : 153100

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Composition

Hex:3 HexNAc:3 NeuAc:2

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
8s:n-acetyl
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
13s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:6o(3+2)7d
7:7d(5+1)8n
8:1o(6+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(3+2)12d
12:12d(5+1)13n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)CO)CO)O)O

InCHI key

TWDQMKYPTKYHGP-OVVWMBEMSA-N

InCHI

InChI=1S/C64H105N5O47/c1-16(77)65-31-21(82)6-63(61(98)99,113-50(31)36(86)23(84)8-70)115-53-40(90)27(12-74)106-59(45(53)95)109-47-29(14-76)108-56(33(43(47)93)67-18(3)79)102-15-30-42(92)48(34(55(97)103-30)68-19(4)80)110-58-44(94)52(39(89)26(11-73)105-58)112-57-35(69-20(5)81)49(38(88)25(10-72)104-57)111-60-46(96)54(41(91)28(13-75)107-60)116-64(62(100)101)7-22(83)32(66-17(2)78)51(114-64)37(87)24(85)9-71/h21-60,70-76,82-97H,6-15H2,1-5H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)(H,98,99)(H,100,101)/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-,64-/m0/s1