Hybrid glycan structure

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No image
N-Linked / Hybrid (avg mass : 1438.3123)

3D structure from GLYCAM

Cross-references

GlyTouCan : G51367TM

GlyGen : G51367TM

ChEBI : 152036


Composition

Hex:5 HexNAc:3


IUPAC

Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-3)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:a-dman-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
9:5o(6+1)10d
10:10o(3+1)11d

GWS

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

Glycam

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

InCHI key

CVJKHPCQKBIMMH-XYNUKNNKSA-N

InCHI

InChI=1S/C54H91N3O41/c1-12(65)55-23-31(73)41(19(8-62)85-47(23)83)93-48-24(56-13(2)66)32(74)43(21(10-64)90-48)95-53-40(82)45(30(72)22(92-53)11-84-50-39(81)44(29(71)18(7-61)86-50)96-52-38(80)35(77)27(69)16(5-59)88-52)97-54-46(36(78)28(70)17(6-60)89-54)98-49-25(57-14(3)67)33(75)42(20(9-63)91-49)94-51-37(79)34(76)26(68)15(4-58)87-51/h15-54,58-64,68-83H,4-11H2,1-3H3,(H,55,65)(H,56,66)(H,57,67)/t15-,16-,17-,18-,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-/m1/s1