Complex glycan structure

Cross-references

GlyTouCan : G68957QP

GlyGen : G68957QP

ChEBI : 153197

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Composition

Hex:4 HexNAc:4 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[GlcNAc(b1-4)][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:a-dman-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b: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
6:5o(4+1)7d
7:7d(2+1)8n
8:5o(6+1)9d
9:9o(2+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:1o(6+1)13d

GWS

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

Glycam

DManpa1-3[DGlcpNAcb1-4][DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

BWFWRCNPSDHLQS-SUHQTZMJSA-N

InCHI

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