Structure

Cross-references

GlyTouCan : G69774ND

GlyGen : G69774ND

ChEBI : 153346

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Composition

Hex:4 HexNAc:4 dHex:3 NeuAc:1

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-3)]GalNAc 

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
5s:n-acetyl
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:a-lgal-HEX-1:5|6:d
9b:b-dgal-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:a-lgal-HEX-1:5|6:d
13b:b-dgal-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:a-lgal-HEX-1:5|6:d
17b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+2)4d
4:4d(5+1)5n
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(3+1)8d
8:6o(4+1)9d
9:9o(3+1)10d
10:10d(2+1)11n
11:10o(3+1)12d
12:10o(4+1)13d
13:13o(3+1)14d
14:14d(2+1)15n
15:14o(3+1)16d
16:14o(4+1)17d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p$MONO,Und,0,0,freeEnd

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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)NC(=O)C)O)CO)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O

InCHI key

SJBDRKVOWCCIAR-PQZZDMKYSA-N

InCHI

InChI=1S/C85H141N5O61/c1-19-42(106)51(115)55(119)77(130-19)145-67-39(88-24(6)101)74(129-18-36-50(114)65(38(73(126)133-36)87-23(5)100)144-83-61(125)72(49(113)32(14-95)137-83)151-85(84(127)128)9-27(104)37(86-22(4)99)66(150-85)45(109)28(105)10-91)138-33(15-96)62(67)142-81-59(123)70(47(111)30(12-93)135-81)149-76-41(90-26(8)103)69(147-79-57(121)53(117)44(108)21(3)132-79)64(35(17-98)140-76)143-82-60(124)71(48(112)31(13-94)136-82)148-75-40(89-25(7)102)68(146-78-56(120)52(116)43(107)20(2)131-78)63(34(16-97)139-75)141-80-58(122)54(118)46(110)29(11-92)134-80/h19-21,27-83,91-98,104-126H,9-18H2,1-8H3,(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,90,103)(H,127,128)/t19-,20-,21-,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-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,85-/m0/s1