Complex glycan structure

No image
N-Linked / Complex (avg mass : 1641.5073)

3D structure from GLYCAM

Cross-references

GlyTouCan : G64633BH

GlyGen : G64633BH

ChEBI : 68816


Composition

Hex:5 HexNAc:4


IUPAC

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

GWS

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

Glycam

DGalpb1-3DGlcpNAcb1-2DManpa1-3[DGalpb1-3DGlcpNAcb1-2DManpa1-6]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)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

SQAYSFIODASYNB-HBHDJDHDSA-N

InCHI

InChI=1S/C62H104N4O46/c1-14(75)63-27-38(86)47(24(11-73)97-54(27)95)106-55-28(64-15(2)76)39(87)48(25(12-74)104-55)107-60-46(94)51(110-62-53(43(91)34(82)21(8-70)103-62)112-57-30(66-17(4)78)50(36(84)23(10-72)99-57)109-59-45(93)41(89)32(80)19(6-68)101-59)37(85)26(105-60)13-96-61-52(42(90)33(81)20(7-69)102-61)111-56-29(65-16(3)77)49(35(83)22(9-71)98-56)108-58-44(92)40(88)31(79)18(5-67)100-58/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,21-,22-,23-,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-/m1/s1