Complex glycan structure

Cross-references

GlyTouCan : G70830AN

GlyGen : G70830AN

ChEBI : 153552

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Composition

Hex:7 HexNAc:6 dHex:5

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Fuc(a1-3)[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:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-lgal-HEX-1:5|6:d
14b:b-dgal-HEX-1:5
15b:a-dman-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:a-lgal-HEX-1:5|6:d
19b:b-dgal-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:a-lgal-HEX-1:5|6:d
23b:b-dgal-HEX-1:5
24b: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
9:7o(4+1)10d
10:6o(4+1)11d
11:11d(2+1)12n
12:11o(3+1)13d
13:11o(4+1)14d
14:5o(6+1)15d
15:15o(2+1)16d
16:16d(2+1)17n
17:16o(3+1)18d
18:16o(4+1)19d
19:15o(6+1)20d
20:20d(2+1)21n
21:20o(3+1)22d
22:20o(4+1)23d
23:1o(6+1)24d

GWS

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

Glycam

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-4]DManpa1-3[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FYQTYOFGAHGOQZ-NAPPTFBKSA-N

InCHI

InChI=1S/C120H200N6O86/c1-25-55(143)68(156)78(166)109(181-25)179-24-48-91(66(154)49(103(177)186-48)121-30(6)137)200-105-50(122-31(7)138)67(155)89(40(16-131)192-105)201-118-88(176)100(210-120-102(212-108-54(126-35(11)142)99(209-113-82(170)72(160)59(147)29(5)185-113)95(45(21-136)195-108)205-117-86(174)76(164)63(151)39(15-130)190-117)87(175)90(41(17-132)196-120)199-106-52(124-33(9)140)97(207-111-80(168)70(158)57(145)27(3)183-111)93(43(19-134)193-106)203-115-84(172)74(162)61(149)37(13-128)188-115)65(153)47(197-118)23-180-119-101(211-107-53(125-34(10)141)98(208-112-81(169)71(159)58(146)28(4)184-112)94(44(20-135)194-107)204-116-85(173)75(163)62(150)38(14-129)189-116)77(165)64(152)46(198-119)22-178-104-51(123-32(8)139)96(206-110-79(167)69(157)56(144)26(2)182-110)92(42(18-133)191-104)202-114-83(171)73(161)60(148)36(12-127)187-114/h25-29,36-120,127-136,143-177H,12-24H2,1-11H3,(H,121,137)(H,122,138)(H,123,139)(H,124,140)(H,125,141)(H,126,142)/t25-,26-,27-,28-,29-,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-,101-,102-,103+,104+,105-,106-,107-,108-,109+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+/m0/s1