Complex glycan structure

Cross-references

GlyTouCan : G96719MC

GlyGen : G96719MC

ChEBI : 155745

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Composition

Hex:8 HexNAc:7 dHex:1 NeuAc:3

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-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@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)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[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@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)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[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

HZQRPRNSFRNIKT-BHFMAXBISA-N

InCHI

InChI=1S/C143H234N10O104/c1-33-75(185)94(204)97(207)129(224-33)222-32-64-110(87(197)68(122(214)225-64)147-37(5)172)240-124-70(149-39(7)174)89(199)106(57(25-164)233-124)243-132-100(210)116(249-137-121(95(205)79(189)50(18-157)231-137)251-128-74(153-43(11)178)93(203)109(61(29-168)237-128)246-135-103(213)119(85(195)55(23-162)230-135)257-143(140(219)220)14-46(181)67(146-36(4)171)113(254-143)78(188)49(184)17-156)86(196)63(238-132)31-223-136-120(250-127-73(152-42(10)177)92(202)105(60(28-167)236-127)242-131-99(209)115(82(192)52(20-159)227-131)248-126-72(151-41(9)176)91(201)108(59(27-166)235-126)245-134-102(212)118(84(194)54(22-161)229-134)256-142(139(217)218)13-45(180)66(145-35(3)170)112(253-142)77(187)48(183)16-155)96(206)80(190)62(239-136)30-221-123-69(148-38(6)173)88(198)104(56(24-163)232-123)241-130-98(208)114(81(191)51(19-158)226-130)247-125-71(150-40(8)175)90(200)107(58(26-165)234-125)244-133-101(211)117(83(193)53(21-160)228-133)255-141(138(215)216)12-44(179)65(144-34(2)169)111(252-141)76(186)47(182)15-154/h33,44-137,154-168,179-214H,12-32H2,1-11H3,(H,144,169)(H,145,170)(H,146,171)(H,147,172)(H,148,173)(H,149,174)(H,150,175)(H,151,176)(H,152,177)(H,153,178)(H,215,216)(H,217,218)(H,219,220)/t33-,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-,127-,128-,129+,130-,131-,132-,133-,134-,135-,136-,137+,141-,142-,143-/m0/s1