Complex glycan structure

Cross-references

GlyTouCan : G08371VN

GlyGen : G08371VN

ChEBI : 146822

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Composition

Hex:5 HexNAc:3 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc

GlycoCT

RES
1b:b-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:b-dgal-HEX-1:5
8b:a-dman-HEX-1:5
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(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:3o(6+1)8d
8:8o(2+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(6+2)12d
12:12d(5+1)13n

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,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[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)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](O[C@H]([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)NC(=O)C)O)CO)O)O)CO)O)O)O)O

InCHI key

LCVIDZXALRLMPW-AZMZBKIWSA-N

InCHI

InChI=1S/C65H108N4O49/c1-15(77)66-29-19(81)5-65(64(100)101,118-52(29)33(83)20(82)6-70)103-14-28-37(87)43(93)47(97)60(111-28)113-51-26(12-76)108-57(31(40(51)90)68-17(3)79)116-54-44(94)35(85)22(8-72)106-62(54)102-13-27-38(88)53(48(98)61(110-27)114-49-24(10-74)104-56(99)30(39(49)89)67-16(2)78)115-63-55(45(95)36(86)23(9-73)107-63)117-58-32(69-18(4)80)41(91)50(25(11-75)109-58)112-59-46(96)42(92)34(84)21(7-71)105-59/h19-63,70-76,81-99H,5-14H2,1-4H3,(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,100,101)/t19-,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+,65+/m0/s1