Complex glycan structure

Cross-references

GlyTouCan : G07392QY

GlyGen : G07392QY

ChEBI : 147142

UniCarb-DB :

• 371

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Composition

Hex:5 HexNAc:4 dHex:1 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(b1-4)[Fuc(a1-6)]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
10b:a-dman-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
16b:a-lgal-HEX-1:5|6:d
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
9:5o(6+1)10d
10:10o(2+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(6+2)14d
14:14d(5+1)15n
15:1o(6+1)16d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO[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)O)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

HAKKMURXHOVGPF-CBYKEYACSA-N

InCHI

InChI=1S/C79H131N5O58/c1-18-40(99)51(110)56(115)72(125-18)122-16-34-63(47(106)36(68(119)126-34)81-20(3)93)135-69-37(82-21(4)94)48(107)62(31(14-91)130-69)138-75-59(118)65(139-77-67(55(114)44(103)28(11-88)129-77)141-71-39(84-23(6)96)50(109)60(29(12-89)132-71)136-73-57(116)52(111)42(101)26(9-86)127-73)46(105)32(133-75)15-123-76-66(54(113)43(102)27(10-87)128-76)140-70-38(83-22(5)95)49(108)61(30(13-90)131-70)137-74-58(117)53(112)45(104)33(134-74)17-124-79(78(120)121)7-24(97)35(80-19(2)92)64(142-79)41(100)25(98)8-85/h18,24-77,85-91,97-119H,7-17H2,1-6H3,(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,120,121)/t18-,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-,67-,68+,69-,70-,71-,72+,73-,74-,75-,76-,77+,79+/m0/s1