Structure

Cross-references

GlyTouCan : G21385AQ

GlyGen : G21385AQ

ChEBI : -

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Composition

Hex:3 HexNAc:5 dHex:2

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]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-dgal-HEX-1:5
9s:n-acetyl
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-lgal-HEX-1:5|6:d
14b:a-dgal-HEX-1:5
15s:n-acetyl
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
7:6o(3+1)8d
8:8d(2+1)9n
9:1o(6+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(2+1)13d
13:12o(3+1)14d
14:14d(2+1)15n

GWS

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

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-3DGlcpNAcb1-3DGalpb1-3[DGalpNAca1-3[LFucpa1-2]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]([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[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[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)NC(=O)C)O)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

QAPOGGWRAVSEOU-NPXLGIHQSA-N

InCHI

InChI=1S/C70H117N5O49/c1-16-36(88)48(100)50(102)66(107-16)123-59-57(121-63-31(71-18(3)83)45(97)38(90)23(8-76)110-63)42(94)27(12-80)114-69(59)117-53-29(14-82)116-62(33(47(53)99)73-20(5)85)106-15-30-44(96)54(34(61(105)109-30)74-21(6)86)118-68-52(104)56(41(93)26(11-79)113-68)120-65-35(75-22(7)87)55(40(92)25(10-78)112-65)119-70-60(124-67-51(103)49(101)37(89)17(2)108-67)58(43(95)28(13-81)115-70)122-64-32(72-19(4)84)46(98)39(91)24(9-77)111-64/h16-17,23-70,76-82,88-105H,8-15H2,1-7H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,87)/t16-,17-,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+,55+,56-,57-,58-,59+,60+,61-,62+,63+,64+,65-,66-,67-,68-,69-,70-/m0/s1