Complex glycan structure

Cross-references

GlyTouCan : G46503KK

GlyGen : G46503KK

ChEBI : 87473

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Composition

Hex:5 HexNAc:4 dHex:3

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IUPAC

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

GWS

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

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-2DManpa1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-2DManpa1-6]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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FNLMYNIIQNKLRW-GEYNMIEXSA-N

InCHI

InChI=1S/C80H134N4O58/c1-17-37(96)49(108)56(115)73(122-17)120-16-32-63(45(104)33(69(119)125-32)81-20(4)92)134-70-34(82-21(5)93)46(105)60(28(12-89)130-70)135-76-59(118)64(138-80-66(53(112)41(100)27(11-88)129-80)140-72-36(84-23(7)95)48(107)62(30(14-91)132-72)137-79-68(55(114)43(102)26(10-87)128-79)142-75-58(117)51(110)39(98)19(3)124-75)44(103)31(133-76)15-121-77-65(52(111)40(99)24(8-85)126-77)139-71-35(83-22(6)94)47(106)61(29(13-90)131-71)136-78-67(54(113)42(101)25(9-86)127-78)141-74-57(116)50(109)38(97)18(2)123-74/h17-19,24-80,85-91,96-119H,8-16H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/t17-,18-,19-,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-,78-,79-,80+/m0/s1