No-core glycan structure

Cross-references

GlyTouCan : G10973QG

GlyGen : G10973QG

ChEBI : 147270

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Composition

Hex:5 HexNAc:3 dHex:2

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc

GlycoCT

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)NC(=O)C)O)CO)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)CO)O)O)NC(=O)C)O)O)O

InCHI key

GCMIFFNDTQTZTE-ABUIANJNSA-N

InCHI

InChI=1S/C66H111N3O49/c1-14-30(80)38(88)44(94)60(101-14)114-52-28(68-17(4)78)58(108-24(11-75)50(52)112-62-46(96)40(90)32(82)19(6-70)104-62)117-55-42(92)34(84)21(8-72)106-65(55)100-13-26-36(86)54(48(98)64(110-26)111-49-23(10-74)103-57(99)27(37(49)87)67-16(3)77)116-66-56(43(93)35(85)22(9-73)107-66)118-59-29(69-18(5)79)53(115-61-45(95)39(89)31(81)15(2)102-61)51(25(12-76)109-59)113-63-47(97)41(91)33(83)20(7-71)105-63/h14-15,19-66,70-76,80-99H,6-13H2,1-5H3,(H,67,77)(H,68,78)(H,69,79)/t14-,15-,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-,45-,46+,47+,48-,49+,50+,51+,52+,53+,54-,55-,56-,57?,58-,59-,60-,61-,62-,63-,64-,65-,66+/m0/s1