Complex glycan structure

Cross-references

GlyTouCan : G00951UF

GlyGen : G00951UF

ChEBI : 146426

---

Composition

Hex:3 HexNAc:7

---

IUPAC

GlcNAc(b1-2)[GlcNAc(b1-4)][GlcNAc(b1-6)]Man(a1-6)[GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)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-dglc-HEX-1:5
10s:n-acetyl
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
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
8:5o(4+1)9d
9:9d(2+1)10n
10:5o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n
13:11o(4+1)14d
14:14d(2+1)15n
15:11o(6+1)16d
16:16d(2+1)17n

GWS

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

Glycam

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

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[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)O)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

VCPGGWKKBQKUIP-ZOJVCZETSA-N

InCHI

InChI=1S/C74H123N7O51/c1-18(90)75-35-53(108)58(31(14-88)116-65(35)113)126-71-41(81-24(7)96)54(109)59(32(15-89)123-71)128-72-57(112)62(130-74-63(55(110)47(102)30(13-87)122-74)131-69-39(79-22(5)94)51(106)45(100)28(11-85)120-69)61(129-68-38(78-21(4)93)50(105)44(99)27(10-84)119-68)34(124-72)17-115-73-64(132-70-40(80-23(6)95)52(107)46(101)29(12-86)121-70)56(111)60(127-67-37(77-20(3)92)49(104)43(98)26(9-83)118-67)33(125-73)16-114-66-36(76-19(2)91)48(103)42(97)25(8-82)117-66/h25-74,82-89,97-113H,8-17H2,1-7H3,(H,75,90)(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)/t25-,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-/m1/s1