Complex glycan structure

Cross-references

GlyTouCan : G51050LD

GlyGen : G51050LD

ChEBI : 152006

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Composition

Hex:6 HexNAc:5 dHex:4

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-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]DGlcpNAcb1-2DManpa1-3[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)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

PCIRPCZAKJNOEL-XORNZCSASA-N

InCHI

InChI=1S/C100H167N5O72/c1-21-46(119)58(131)67(140)91(152-21)150-20-40-76(56(129)41(86(148)156-40)101-25(5)114)167-88-42(102-26(6)115)57(130)75(34(14-110)162-88)168-98-74(147)83(175-100-85(65(138)53(126)33(13-109)160-100)177-90-45(105-29(9)118)82(174-94-70(143)61(134)49(122)24(4)155-94)79(37(17-113)164-90)171-97-73(146)64(137)52(125)32(12-108)159-97)55(128)39(165-98)19-151-99-84(176-89-44(104-28(8)117)81(173-93-69(142)60(133)48(121)23(3)154-93)78(36(16-112)163-89)170-96-72(145)63(136)51(124)31(11-107)158-96)66(139)54(127)38(166-99)18-149-87-43(103-27(7)116)80(172-92-68(141)59(132)47(120)22(2)153-92)77(35(15-111)161-87)169-95-71(144)62(135)50(123)30(10-106)157-95/h21-24,30-100,106-113,119-148H,10-20H2,1-9H3,(H,101,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)/t21-,22-,23-,24-,30+,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+/m0/s1