Complex glycan structure

Cross-references

GlyTouCan : G44617UT

GlyGen : G44617UT

ChEBI : 150932

UniCarb-DB :

• 2219

---

Composition

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

---

IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc

GlycoCT

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

IICNVQYUGDCMHO-QMJACIPSSA-N

InCHI

InChI=1S/C65H108N4O48/c1-15-33(82)42(91)45(94)59(103-15)101-14-28-51(39(88)30(56(98)104-28)67-17(3)77)111-57-31(68-18(4)78)40(89)49(25(11-74)108-57)112-61-47(96)53(114-60-46(95)43(92)35(84)22(8-71)105-60)38(87)27(110-61)13-102-63-55(44(93)36(85)23(9-72)107-63)115-58-32(69-19(5)79)41(90)50(26(12-75)109-58)113-62-48(97)54(37(86)24(10-73)106-62)117-65(64(99)100)6-20(80)29(66-16(2)76)52(116-65)34(83)21(81)7-70/h15,20-63,70-75,80-98H,6-14H2,1-5H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,99,100)/t15-,20-,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-,65-/m0/s1