Complex glycan structure

Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
No image
N-Linked / Complex (avg mass : 1916.7658)

3D structure from GLYCAM

Cross-references

GlyTouCan : G10664FL

GlyGen : G10664FL

ChEBI : 147205


Composition

Hex:4 HexNAc:4 dHex:1 NeuAc:1


IUPAC

NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b: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
9:9o(3+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:1o(6+1)15d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

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)O)NC(=O)C)O)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)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

OWAJYJZJHJLLRJ-KKMYOEGSSA-N

InCHI

InChI=1S/C73H121N5O53/c1-17-38(93)49(104)52(107)67(115-17)113-16-32-56(47(102)34(63(110)116-32)75-19(3)87)124-65-36(77-21(5)89)48(103)55(30(14-85)122-65)125-68-53(108)59(45(100)31(123-68)15-114-70-61(50(105)41(96)26(10-81)120-70)128-64-35(76-20(4)88)46(101)40(95)25(9-80)117-64)127-71-62(51(106)42(97)27(11-82)121-71)129-66-37(78-22(6)90)57(43(98)28(12-83)118-66)126-69-54(109)60(44(99)29(13-84)119-69)131-73(72(111)112)7-23(91)33(74-18(2)86)58(130-73)39(94)24(92)8-79/h17,23-71,79-85,91-110H,7-16H2,1-6H3,(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)(H,111,112)/t17-,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-,63+,64-,65-,66-,67+,68-,69-,70-,71+,73-/m0/s1