Complex glycan structure

Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
No image
N-Linked / Complex (avg mass : 2735.5035)

3D structure from GLYCAM

Cross-references

GlyTouCan : G16529MG

GlyGen : G16529MG

ChEBI : 148149


Composition

Hex:6 HexNAc:5 dHex:1 NeuAc:2


IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)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:b-dgal-HEX-1:5
10b:a-dman-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
20s:n-acetyl
21b: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
9:5o(6+1)10d
10:10o(2+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(3+2)14d
14:14d(5+1)15n
15:10o(6+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18o(3+2)19d
19:19d(5+1)20n
20:1o(6+1)21d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,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[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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)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@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)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)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

JFPXKMZSCKEDSW-XRDIPGIISA-N

InCHI

InChI=1S/C104H171N7O76/c1-24-54(133)68(147)72(151)94(164-24)162-23-46-81(63(142)49(89(156)165-46)107-27(4)124)176-91-51(109-29(6)126)65(144)79(42(19-120)171-91)178-96-74(153)84(181-100-88(70(149)58(137)37(14-115)169-100)183-93-53(111-31(8)128)66(145)78(41(18-119)173-93)177-95-73(152)69(148)57(136)36(13-114)166-95)62(141)45(174-96)22-163-99-87(182-92-52(110-30(7)127)67(146)80(43(20-121)172-92)180-98-76(155)86(61(140)39(16-117)168-98)187-104(102(159)160)10-33(130)48(106-26(3)123)83(185-104)56(135)35(132)12-113)71(150)59(138)44(175-99)21-161-90-50(108-28(5)125)64(143)77(40(17-118)170-90)179-97-75(154)85(60(139)38(15-116)167-97)186-103(101(157)158)9-32(129)47(105-25(2)122)82(184-103)55(134)34(131)11-112/h24,32-100,112-121,129-156H,9-23H2,1-8H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,157,158)(H,159,160)/t24-,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-,89+,90+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100+,103-,104-/m0/s1