Complex glycan structure

Cross-references

GlyTouCan : G70945OS

GlyGen : G70945OS

ChEBI : 153076

---

Composition

Hex:5 HexNAc:5 dHex:3

---

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)][GlcNAc(b1-4)]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:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:a-lgal-HEX-1:5|6:d
18b: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(4+1)11d
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(2+1)17d
17:1o(6+1)18d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--4b1D-GlcNAc,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[DGlcpNAcb1-4][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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)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)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

UDMWQGYZBJPCKK-OCSDQBRBSA-N

InCHI

InChI=1S/C88H147N5O63/c1-19-42(107)55(120)62(127)81(134-19)132-17-35-69(51(116)37(76(131)137-35)89-22(4)102)147-78-39(91-24(6)104)52(117)66(32(14-99)143-78)148-84-65(130)71(152-88-73(59(124)47(112)31(13-98)142-88)154-80-41(93-26(8)106)54(119)68(34(16-101)145-80)150-87-75(61(126)49(114)30(12-97)141-87)156-83-64(129)57(122)44(109)21(3)136-83)70(151-77-38(90-23(5)103)50(115)45(110)27(9-94)138-77)36(146-84)18-133-85-72(58(123)46(111)28(10-95)139-85)153-79-40(92-25(7)105)53(118)67(33(15-100)144-79)149-86-74(60(125)48(113)29(11-96)140-86)155-82-63(128)56(121)43(108)20(2)135-82/h19-21,27-88,94-101,107-131H,9-18H2,1-8H3,(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,106)/t19-,20-,21-,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-,81+,82-,83-,84-,85-,86-,87-,88+/m0/s1