Complex glycan structure

Cross-references

GlyTouCan : G53933HU

GlyGen : G53933HU

ChEBI : 151769

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Composition

Hex:3 HexNAc:4 NeuAc:1

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IUPAC

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

GlycoCT

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,p)--6a1Man$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]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)CO)O)O)CO)NC(=O)C)O)O)O

InCHI key

XMOZJNZWPYHNNO-TXQXYVKMSA-N

InCHI

InChI=1S/C61H101N5O44/c1-15(73)62-29-20(78)6-61(60(94)95,110-50(29)34(80)21(79)7-67)97-14-28-37(83)39(85)31(64-17(3)75)54(103-28)106-48-25(11-71)102-56(33(41(48)87)66-19(5)77)109-52-44(90)36(82)23(9-69)100-59(52)108-51-38(84)27(13-96-57-45(91)43(89)35(81)22(8-68)99-57)104-58(46(51)92)107-49-26(12-72)101-55(32(42(49)88)65-18(4)76)105-47-24(10-70)98-53(93)30(40(47)86)63-16(2)74/h20-59,67-72,78-93H,6-14H2,1-5H3,(H,62,73)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,94,95)/t20-,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+,61+/m0/s1