Complex glycan structure

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No image
N-Linked / Complex (avg mass : 4496.1367)

3D structure from GLYCAM

Cross-references

GlyTouCan : G57835AK

GlyGen : G57835AK

ChEBI : 152194


Composition

Hex:7 HexNAc:10 dHex:1 NeuAc:4


IUPAC

GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-4)GlcNAc(b1-2)[GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-4)GlcNAc(b1-2)[GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-4)GlcNAc(b1-6)]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:b-dgal-HEX-1:5
13s:n-acetyl
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
18s:n-acetyl
19b:b-dgal-HEX-1:5
20s:n-acetyl
21b:a-dman-HEX-1:5
22b:b-dglc-HEX-1:5
23s:n-acetyl
24b:b-dgal-HEX-1:5
25b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
26s:n-acetyl
27b:b-dgal-HEX-1:5
28s:n-acetyl
29b:b-dglc-HEX-1:5
30s:n-acetyl
31b:b-dgal-HEX-1:5
32b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
33s:n-acetyl
34b:b-dgal-HEX-1:5
35s:n-acetyl
36b: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(3+2)10d
10:10d(5+1)11n
11:9o(4+1)12d
12:12d(2+1)13n
13:6o(4+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(3+2)17d
17:17d(5+1)18n
18:16o(4+1)19d
19:19d(2+1)20n
20:5o(6+1)21d
21:21o(2+1)22d
22:22d(2+1)23n
23:22o(4+1)24d
24:24o(3+2)25d
25:25d(5+1)26n
26:24o(4+1)27d
27:27d(2+1)28n
28:21o(6+1)29d
29:29d(2+1)30n
30:29o(4+1)31d
31:31o(3+2)32d
32:32d(5+1)33n
33:31o(4+1)34d
34:34d(2+1)35n
35:1o(6+1)36d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)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[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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)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[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)NC(=O)C)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)NC(=O)C)O)O)O

InCHI key

XSXDBWPRLLNHDJ-UIUOJQTJSA-N

InCHI

InChI=1S/C172H280N14O122/c1-41-95(227)116(248)118(250)157(269-41)267-40-80-131(110(242)85(147(257)270-80)177-46(6)209)288-154-92(184-53(13)216)113(245)126(69(29-196)277-154)289-158-120(252)140(298-164-146(300-156-94(186-55(15)218)115(247)129(72(32-199)279-156)293-162-124(256)144(135(77(37-204)283-162)297-152-89(181-50(10)213)109(241)103(235)67(27-194)274-152)308-172(168(264)265)19-59(222)84(176-45(5)208)139(304-172)99(231)63(226)23-190)119(251)130(73(33-200)284-164)287-153-91(183-52(12)215)112(244)127(70(30-197)276-153)291-160-122(254)142(133(75(35-202)281-160)295-150-87(179-48(8)211)107(239)101(233)65(25-192)272-150)306-170(166(260)261)17-57(220)82(174-43(3)206)137(302-170)97(229)61(224)21-188)105(237)79(285-158)39-268-163-145(299-155-93(185-54(14)217)114(246)128(71(31-198)278-155)292-161-123(255)143(134(76(36-203)282-161)296-151-88(180-49(9)212)108(240)102(234)66(26-193)273-151)307-171(167(262)263)18-58(221)83(175-44(4)207)138(303-171)98(230)62(225)22-189)117(249)104(236)78(286-163)38-266-148-90(182-51(11)214)111(243)125(68(28-195)275-148)290-159-121(253)141(132(74(34-201)280-159)294-149-86(178-47(7)210)106(238)100(232)64(24-191)271-149)305-169(165(258)259)16-56(219)81(173-42(2)205)136(301-169)96(228)60(223)20-187/h41,56-164,187-204,219-257H,16-40H2,1-15H3,(H,173,205)(H,174,206)(H,175,207)(H,176,208)(H,177,209)(H,178,210)(H,179,211)(H,180,212)(H,181,213)(H,182,214)(H,183,215)(H,184,216)(H,185,217)(H,186,218)(H,258,259)(H,260,261)(H,262,263)(H,264,265)/t41-,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-,101-,102-,103-,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117-,118-,119-,120-,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132-,133-,134-,135-,136+,137+,138+,139+,140-,141+,142+,143+,144+,145-,146-,147+,148+,149-,150-,151-,152-,153-,154-,155-,156-,157+,158-,159-,160-,161-,162-,163-,164+,169-,170-,171-,172-/m0/s1