Structure

Cross-references

GlyTouCan : G23119MJ

GlyGen : G23119MJ

ChEBI : 148550

UniCarb-DB :

• 52
• 157
• 204
• 221
• 507
• 2795
• 2965
• 3676

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Composition

Hex:2 HexNAc:2 dHex:2

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IUPAC

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

GlycoCT

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

GWS

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

Glycam

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

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)O)CO)CO)O)O)O)O)O

InCHI key

BRCUEIMZWKUYAB-IROAEAJASA-N

InCHI

InChI=1S/C40H68N2O29/c1-9-19(48)25(54)29(58)37(62-9)70-33-27(56)21(50)13(5-43)65-39(33)68-31-15(7-45)67-36(17(24(31)53)41-11(3)46)61-8-16-23(52)32(18(35(60)64-16)42-12(4)47)69-40-34(28(57)22(51)14(6-44)66-40)71-38-30(59)26(55)20(49)10(2)63-38/h9-10,13-40,43-45,48-60H,5-8H2,1-4H3,(H,41,46)(H,42,47)/t9-,10-,13+,14+,15+,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-/m0/s1