Complex glycan structure

Cross-references

GlyTouCan : G27776PG

GlyGen : G27776PG

ChEBI : 149019

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Composition

Hex:3 HexNAc:4 dHex:2

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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)[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-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11s:n-acetyl
12b:a-dman-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
6:6o(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
12:1o(6+1)13d

GWS

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

Glycam

DGalpNAcb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-3[DManpa1-6]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)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)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)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

NCFVMTDRYIUFBB-RMHSBBJVSA-N

InCHI

InChI=1S/C62H104N4O44/c1-14-31(76)40(85)44(89)58(96-14)95-13-26-49(38(83)27(54(93)98-26)63-16(3)72)105-56-29(65-18(5)74)39(84)48(23(10-70)102-56)106-61-47(92)52(36(81)25(104-61)12-94-59-45(90)42(87)34(79)21(8-68)100-59)109-62-53(43(88)35(80)22(9-69)101-62)110-57-30(66-19(6)75)51(108-60-46(91)41(86)32(77)15(2)97-60)50(24(11-71)103-57)107-55-28(64-17(4)73)37(82)33(78)20(7-67)99-55/h14-15,20-62,67-71,76-93H,7-13H2,1-6H3,(H,63,72)(H,64,73)(H,65,74)(H,66,75)/t14-,15-,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