Complex glycan structure

Cross-references

GlyTouCan : G78890OB

GlyGen : G78890OB

ChEBI : 154112

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Composition

Hex:4 HexNAc:5 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[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
10s:n-acetyl
11s:sulfate
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b: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
9:9d(2+1)10n
10:9o(4+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p--4?1S)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAc[4S]b1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)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[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

RGIPGTRITFJVEA-SUZCYWNYSA-N

InCHI

InChI=1S/C64H107N5O49S/c1-15(78)65-29-38(87)48(23(9-73)102-56(29)97)111-57-30(66-16(2)79)40(89)51(26(12-76)106-57)114-62-47(96)53(37(86)28(110-62)14-101-63-54(44(93)35(84)21(7-71)104-63)116-59-32(68-18(4)81)41(90)50(25(11-75)108-59)113-61-46(95)43(92)34(83)20(6-70)103-61)115-64-55(45(94)36(85)22(8-72)105-64)117-60-31(67-17(3)80)39(88)49(24(10-74)107-60)112-58-33(69-19(5)82)42(91)52(27(13-77)109-58)118-119(98,99)100/h20-64,70-77,83-97H,6-14H2,1-5H3,(H,65,78)(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,98,99,100)/t20-,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+,63+,64-/m1/s1