Complex glycan structure

Cross-references

GlyTouCan : G91550OH

GlyGen : G91550OH

ChEBI : 155131

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Composition

Hex:6 HexNAc:6 dHex:3

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,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

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-4][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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)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

CSRDFDLJKBEDGR-PMJMRPNZSA-N

InCHI

InChI=1S/C102H170N6O73/c1-22-49(124)62(137)70(145)94(156-22)154-20-41-79(59(134)43(88(152)159-41)103-25(4)118)171-91-45(105-27(6)120)60(135)78(37(16-115)166-91)173-100-76(151)85(179-102-87(68(143)56(131)35(14-113)164-102)181-92-46(106-28(7)121)61(136)77(36(15-114)167-92)172-97-73(148)65(140)53(128)32(11-110)161-97)82(174-90-44(104-26(5)119)58(133)52(127)31(10-109)160-90)42(170-100)21-155-101-86(180-93-48(108-30(9)123)84(178-96-72(147)64(139)51(126)24(3)158-96)81(39(18-117)168-93)176-99-75(150)67(142)55(130)34(13-112)163-99)69(144)57(132)40(169-101)19-153-89-47(107-29(8)122)83(177-95-71(146)63(138)50(125)23(2)157-95)80(38(17-116)165-89)175-98-74(149)66(141)54(129)33(12-111)162-98/h22-24,31-102,109-117,124-152H,10-21H2,1-9H3,(H,103,118)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)/t22-,23-,24-,31+,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-,101-,102+/m0/s1