Core 3 glycan structure

Cross-references

GlyTouCan : G51140AE

GlyGen : G51140AE

ChEBI : 152013

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Composition

Hex:3 HexNAc:6 dHex:1

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)[GalNAc(a1-3)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:a-lgal-HEX-1:5|6:d
10b:a-dgal-HEX-1:5
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-dgal-HEX-1:5
16s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(2+1)9d
9:8o(3+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:14o(3+1)15d
15:15d(2+1)16n

GWS

freeEnd--?a1D-GalNAc,p--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a1D-GalNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-3[DGalpNAca1-3DGalpb1-4DGlcpNAcb1-6]DGalpb1-4DGlcpNAcb1-3DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(=O)C)CO)CO[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[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)CO)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)O

InCHI key

JMYGOLXPGCLHTK-JMNFMKJASA-N

InCHI

InChI=1S/C72H120N6O50/c1-17-39(93)51(105)52(106)69(111-17)128-62-61(127-66-34(74-19(3)88)47(101)41(95)25(9-80)114-66)44(98)28(12-83)116-72(62)123-57-31(15-86)119-68(37(50(57)104)77-22(6)91)126-60-45(99)32(120-71(54(60)108)122-56-30(14-85)118-67(36(49(56)103)76-21(5)90)124-58-38(78-23(7)92)63(109)112-26(10-81)42(58)96)16-110-64-35(75-20(4)89)48(102)55(29(13-84)117-64)121-70-53(107)59(43(97)27(11-82)115-70)125-65-33(73-18(2)87)46(100)40(94)24(8-79)113-65/h17,24-72,79-86,93-109H,8-16H2,1-7H3,(H,73,87)(H,74,88)(H,75,89)(H,76,90)(H,77,91)(H,78,92)/t17-,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-/m0/s1