Structure

Cross-references

GlyTouCan : G66166BF

GlyGen : G66166BF

ChEBI : 152739

UniCarb-DB :

• 2873

---

Composition

Hex:4 HexNAc:4 dHex:3

---

IUPAC

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

GWS

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

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpb1-3[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[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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)O)NC(=O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

IULCMOWGKHJHTM-OZQOSBPUSA-N

InCHI

InChI=1S/C74H124N4O53/c1-16-35(89)46(100)52(106)68(113-16)129-61-49(103)38(92)23(8-79)117-72(61)124-56-26(11-82)120-65(31(43(56)97)75-19(4)85)111-14-29-41(95)59(34(64(110)116-29)78-22(7)88)127-71-55(109)60(128-67-33(77-21(6)87)45(99)58(28(13-84)122-67)126-74-63(51(105)40(94)25(10-81)119-74)131-70-54(108)48(102)37(91)18(3)115-70)42(96)30(123-71)15-112-66-32(76-20(5)86)44(98)57(27(12-83)121-66)125-73-62(50(104)39(93)24(9-80)118-73)130-69-53(107)47(101)36(90)17(2)114-69/h16-18,23-74,79-84,89-110H,8-15H2,1-7H3,(H,75,85)(H,76,86)(H,77,87)(H,78,88)/t16-,17-,18-,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-,71-,72-,73-,74-/m0/s1