Core 2 glycan structure

Cross-references

GlyTouCan : G38316MW

GlyGen : G38316MW

ChEBI : 150262

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Composition

Hex:4 HexNAc:4 dHex:2

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IUPAC

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

GWS

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

Glycam

DGalpb1-3[LFucpa1-4]DGlcpNAcb1-3DGalpb1-3[DGalpb1-3[LFucpa1-4]DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6]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)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)OC[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)O)NC(=O)C)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[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O)O)CO)CO)O)CO)O)O)O

InCHI key

URTLRUXVVUGQBH-KSONEABJSA-N

InCHI

InChI=1S/C68H114N4O49/c1-15-33(84)41(92)45(96)63(104-15)115-52-26(12-78)112-61(31(71-19(5)82)55(52)118-65-47(98)43(94)35(86)21(7-73)107-65)120-57-37(88)23(9-75)109-67(49(57)100)114-51-25(11-77)111-60(29(40(51)91)69-17(3)80)103-14-28-39(90)54(30(59(102)106-28)70-18(4)81)117-68-50(101)58(38(89)24(10-76)110-68)121-62-32(72-20(6)83)56(119-66-48(99)44(95)36(87)22(8-74)108-66)53(27(13-79)113-62)116-64-46(97)42(93)34(85)16(2)105-64/h15-16,21-68,73-79,84-102H,7-14H2,1-6H3,(H,69,80)(H,70,81)(H,71,82)(H,72,83)/t15-,16-,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+,55+,56+,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1