Complex glycan structure

Cross-references

GlyTouCan : G86928UZ

GlyGen : G86928UZ

ChEBI : 154733

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Composition

Hex:4 HexNAc:5 dHex:2

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)[GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]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-dglc-HEX-1:5
10s:n-acetyl
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-lgal-HEX-1:5|6:d
15b:b-dgal-HEX-1:5
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
8:5o(4+1)9d
9:9d(2+1)10n
10:5o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n
13:12o(3+1)14d
14:12o(4+1)15d
15:1o(6+1)16d

GWS

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

Glycam

DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-4][DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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)O)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FAGKDFXBXKCIEW-DAKVAFGDSA-N

InCHI

InChI=1S/C76H127N5O54/c1-17-38(94)49(105)54(110)71(117-17)115-15-31-59(47(103)33(66(114)119-31)77-19(3)89)128-69-36(80-22(6)92)48(104)58(29(13-87)125-69)129-74-57(113)63(133-76-65(53(109)44(100)28(12-86)124-76)135-68-35(79-21(5)91)46(102)41(97)25(9-83)121-68)61(130-67-34(78-20(4)90)45(101)40(96)24(8-82)120-67)32(127-74)16-116-75-64(52(108)43(99)27(11-85)123-75)134-70-37(81-23(7)93)62(132-72-55(111)50(106)39(95)18(2)118-72)60(30(14-88)126-70)131-73-56(112)51(107)42(98)26(10-84)122-73/h17-18,24-76,82-88,94-114H,8-16H2,1-7H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)/t17-,18-,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+/m0/s1