Complex glycan structure

Cross-references

GlyTouCan : G52080WL

GlyGen : G52080WL

ChEBI : 151605

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Composition

Hex:4 HexNAc:4 dHex:1

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IUPAC

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

GWS

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

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]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]([C@H](O[C@H]2O[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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)CO)O)O)CO)CO)O)O)O)O)O

InCHI key

UONKIDOTSCXBSI-HCTYFURCSA-N

InCHI

InChI=1S/C62H104N4O45/c1-14-31(78)41(88)45(92)58(96-14)111-53-44(91)35(82)21(8-69)100-61(53)107-49-25(12-73)103-57(30(40(49)87)66-18(5)77)110-52-43(90)34(81)22(9-70)101-62(52)108-50-36(83)26(13-95-60-51(42(89)33(80)20(7-68)99-60)109-55-28(64-16(3)75)37(84)32(79)19(6-67)98-55)104-59(46(50)93)106-48-24(11-72)102-56(29(39(48)86)65-17(4)76)105-47-23(10-71)97-54(94)27(38(47)85)63-15(2)74/h14,19-62,67-73,78-94H,6-13H2,1-5H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t14-,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-,57-,58-,59-,60-,61-,62+/m0/s1