Complex glycan structure

Cross-references

GlyTouCan : G90870DG

GlyGen : G90870DG

ChEBI : 154917

---

Composition

Hex:4 HexNAc:6 dHex:1

---

IUPAC

Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[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: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:b-dglc-HEX-1:5
16s:n-acetyl
17b: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
9:6o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:12o(6+1)15d
15:15d(2+1)16n
16:1o(6+1)17d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-2[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)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)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)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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

PPVOEVRUZGKNRM-JJKPBYHLSA-N

InCHI

InChI=1S/C78H130N6O55/c1-18-41(98)54(111)57(114)74(122-18)120-17-34-64(51(108)35(68(118)123-34)79-19(2)92)134-72-39(83-23(6)96)52(109)62(30(13-90)128-72)136-76-60(117)65(47(104)33(131-76)16-121-77-66(138-71-38(82-22(5)95)50(107)44(101)27(10-87)126-71)56(113)46(103)32(132-77)15-119-69-36(80-20(3)93)48(105)42(99)25(8-85)124-69)137-78-67(59(116)63(31(14-91)130-78)133-70-37(81-21(4)94)49(106)43(100)26(9-86)125-70)139-73-40(84-24(7)97)53(110)61(29(12-89)129-73)135-75-58(115)55(112)45(102)28(11-88)127-75/h18,25-78,85-91,98-118H,8-17H2,1-7H3,(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)/t18-,25+,26+,27+,28+,29+,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+/m0/s1