Core 2 glycan structure

Cross-references

GlyTouCan : G28116PK

GlyGen : G28116PK

ChEBI : 149102

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

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

GlycoCT

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

GWS

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

Glycam

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

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)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)O)O)NC(=O)C)O)NC(=O)C)CO)O)CO)O)O)O

InCHI key

DTZYSXYSYCEEMQ-PMPYVCGLSA-N

InCHI

InChI=1S/C54H91N3O39/c1-12-26(66)33(73)37(77)50(83-12)92-42-21(10-62)90-49(25(57-16(5)65)44(42)94-54-46(36(76)29(69)18(7-59)88-54)96-51-38(78)34(74)27(67)13(2)84-51)95-45-30(70)19(8-60)87-53(40(45)80)93-43-24(56-15(4)64)47(81)85-22(31(43)71)11-82-48-23(55-14(3)63)32(72)41(20(9-61)89-48)91-52-39(79)35(75)28(68)17(6-58)86-52/h12-13,17-54,58-62,66-81H,6-11H2,1-5H3,(H,55,63)(H,56,64)(H,57,65)/t12-,13-,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-/m0/s1