Complex glycan structure

Cross-references

GlyTouCan : G56318NV

GlyGen : G56318NV

ChEBI : 151444

---

Composition

Hex:7 HexNAc:6 NeuAc:4

---

IUPAC

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

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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[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[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)CO)CO)O)O

InCHI key

UNILDKFVYUTQPZ-MXWJVXLCSA-N

InCHI

InChI=1S/C134H218N10O98/c1-32(160)135-63-42(170)11-131(127(202)203,235-103(63)73(178)46(174)15-145)239-108-78(183)50(19-149)213-121(92(108)197)228-97-55(24-154)217-115(68(84(97)189)140-37(6)165)210-30-61-77(182)89(194)112(233-118-71(143-40(9)168)87(192)100(58(27-157)220-118)230-123-94(199)110(80(185)52(21-151)215-123)241-133(129(206)207)13-44(172)65(137-34(3)162)105(237-133)75(180)48(176)17-147)125(224-61)211-31-62-82(187)107(91(196)120(223-62)227-98-56(25-155)218-116(69(85(98)190)141-38(7)166)225-96-54(23-153)212-114(201)67(83(96)188)139-36(5)164)232-126-113(234-119-72(144-41(10)169)88(193)101(59(28-158)221-119)231-124-95(200)111(81(186)53(22-152)216-124)242-134(130(208)209)14-45(173)66(138-35(4)163)106(238-134)76(181)49(177)18-148)90(195)102(60(29-159)222-126)226-117-70(142-39(8)167)86(191)99(57(26-156)219-117)229-122-93(198)109(79(184)51(20-150)214-122)240-132(128(204)205)12-43(171)64(136-33(2)161)104(236-132)74(179)47(175)16-146/h42-126,145-159,170-201H,11-31H2,1-10H3,(H,135,160)(H,136,161)(H,137,162)(H,138,163)(H,139,164)(H,140,165)(H,141,166)(H,142,167)(H,143,168)(H,144,169)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,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+,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+,131-,132-,133-,134-/m0/s1