Complex glycan structure

Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
No image
N-Linked / Complex (avg mass : 2136.9883)

3D structure from GLYCAM

Cross-references

GlyTouCan : G97765TT

GlyGen : G97765TT

ChEBI : 155255


Composition

Hex:5 HexNAc:5 dHex:2


IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)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:b-dgal-HEX-1:5
10b:a-lgal-HEX-1:5|6:d
11b:a-dgal-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
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
10:9o(3+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
16:1o(6+1)17d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2DManpa1-3[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)O[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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)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

NTXGCXAFCOIISI-BPRPYUHGSA-N

InCHI

InChI=1S/C82H137N5O59/c1-18-40(101)53(114)58(119)76(126-18)124-17-34-65(49(110)35(71(123)128-34)83-20(3)96)138-73-37(85-22(5)98)50(111)63(31(14-94)134-73)140-79-61(122)66(47(108)33(137-79)16-125-80-68(56(117)44(105)27(10-90)131-80)144-74-38(86-23(6)99)51(112)62(30(13-93)135-74)139-78-60(121)55(116)43(104)26(9-89)130-78)142-81-69(57(118)45(106)28(11-91)132-81)145-75-39(87-24(7)100)52(113)64(32(15-95)136-75)141-82-70(146-77-59(120)54(115)41(102)19(2)127-77)67(46(107)29(12-92)133-82)143-72-36(84-21(4)97)48(109)42(103)25(8-88)129-72/h18-19,25-82,88-95,101-123H,8-17H2,1-7H3,(H,83,96)(H,84,97)(H,85,98)(H,86,99)(H,87,100)/t18-,19-,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+,63+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76+,77-,78-,79-,80-,81+,82-/m0/s1