Complex glycan structure

Cross-references

GlyTouCan : G37476QB

GlyGen : G37476QB

ChEBI : 150065

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Composition

Hex:3 HexNAc:4 dHex:1

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IUPAC

Fuc(a1-3)[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:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11s:n-acetyl
12b: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(3+1)9d
9:7o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d

GWS

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

Glycam

DGalpNAcb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)CO)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)NC(=O)C)O)O)O

InCHI key

WKZLYFTUGVXSPE-RRGJYTSBSA-N

InCHI

InChI=1S/C56H94N4O40/c1-13-29(71)37(79)41(83)54(87-13)98-46-28(60-17(5)70)52(93-23(11-66)45(46)97-50-26(58-15(3)68)34(76)30(72)18(6-61)89-50)100-48-39(81)32(74)20(8-63)91-56(48)99-47-33(75)24(12-86-53-40(82)38(80)31(73)19(7-62)90-53)94-55(42(47)84)96-44-22(10-65)92-51(27(36(44)78)59-16(4)69)95-43-21(9-64)88-49(85)25(35(43)77)57-14(2)67/h13,18-56,61-66,71-85H,6-12H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t13-,18+,19+,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+/m0/s1