Complex glycan structure

Cross-references

GlyTouCan : G33802UM

GlyGen : G33802UM

ChEBI : 149382

---

Composition

Hex:7 HexNAc:5

---

IUPAC

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

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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[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)NC(=O)C)O

InCHI key

UGOMFRPMBZCQRM-NSQPSOJVSA-N

InCHI

InChI=1S/C82H137N5O61/c1-18(99)83-35-47(111)61(29(12-94)127-71(35)125)139-72-36(84-19(2)100)48(112)65(31(14-96)134-72)143-80-60(124)68(46(110)34(138-80)17-126-81-69(54(118)42(106)25(8-90)132-81)147-74-38(86-21(4)102)50(114)63(32(15-97)136-74)142-79-59(123)67(45(109)28(11-93)131-79)145-77-57(121)53(117)41(105)24(7-89)129-77)146-82-70(55(119)43(107)26(9-91)133-82)148-75-39(87-22(5)103)51(115)64(33(16-98)137-75)141-78-58(122)66(44(108)27(10-92)130-78)144-73-37(85-20(3)101)49(113)62(30(13-95)135-73)140-76-56(120)52(116)40(104)23(6-88)128-76/h23-82,88-98,104-125H,6-17H2,1-5H3,(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,87,103)/t23-,24-,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+,79+,80+,81+,82-/m1/s1