Structure

Cross-references

GlyTouCan : G96066HD

GlyGen : G96066HD

ChEBI : 155566

UniCarb-DB :

• 196
• 3070

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Composition

Hex:1 HexNAc:3 dHex:1

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IUPAC

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

GWS

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

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-3[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]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C)CO)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O

InCHI key

IMWBPJUNNKJCHF-OSWNFGJUSA-N

InCHI

InChI=1S/C36H61N3O25/c1-9-20(46)27(53)28(54)35(57-9)64-31-30(63-34-18(38-11(3)44)26(52)22(48)14(6-41)60-34)23(49)15(7-42)61-36(31)62-29-19(39-12(4)45)32(55)58-16(24(29)50)8-56-33-17(37-10(2)43)25(51)21(47)13(5-40)59-33/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32-,33+,34+,35-,36-/m0/s1