Core 4 glycan structure

Cross-references

GlyTouCan : G43993DD

GlyGen : G43993DD

ChEBI : 150880

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Composition

Hex:2 HexNAc:3 dHex:3

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IUPAC

Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)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:a-lgal-HEX-1:5|6:d
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:5o(2+1)6d
6:1o(6+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:7o(4+1)10d
10:10o(2+1)11d

GWS

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

Glycam

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

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[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)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)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)C)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

OLNIMXUUVYVVDC-BFAKLWHASA-N

InCHI

InChI=1S/C54H91N3O38/c1-12-26(65)33(72)38(77)50(82-12)93-44-25(57-17(6)64)48(89-21(10-61)41(44)90-53-45(36(75)29(68)18(7-58)87-53)94-51-39(78)34(73)27(66)13(2)83-51)81-11-22-32(71)42(23(47(80)85-22)55-15(4)62)91-49-24(56-16(5)63)43(31(70)20(9-60)86-49)92-54-46(37(76)30(69)19(8-59)88-54)95-52-40(79)35(74)28(67)14(3)84-52/h12-14,18-54,58-61,65-80H,7-11H2,1-6H3,(H,55,62)(H,56,63)(H,57,64)/t12-,13-,14-,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