Complex glycan structure

Cross-references

GlyTouCan : G51264BB

GlyGen : G51264BB

ChEBI : 152026

---

Composition

Hex:5 HexNAc:3 NeuAc:2

---

IUPAC

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

GlycoCT

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

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)O)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)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO[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)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O

InCHI key

VFNZVHISCAMHMJ-WXDDJTTKSA-N

InCHI

InChI=1S/C76H125N5O57/c1-18(89)77-35-23(94)6-75(73(116)117,137-60(35)40(98)25(96)8-82)121-16-33-44(102)50(108)54(112)68(129-33)131-58-30(13-87)126-66(38(48(58)106)80-21(4)92)135-63-52(110)42(100)27(10-84)124-71(63)120-15-32-46(104)62(56(114)70(128-32)133-57-29(12-86)123-65(115)37(47(57)105)79-20(3)91)134-72-64(53(111)43(101)28(11-85)125-72)136-67-39(81-22(5)93)49(107)59(31(14-88)127-67)132-69-55(113)51(109)45(103)34(130-69)17-122-76(74(118)119)7-24(95)36(78-19(2)90)61(138-76)41(99)26(97)9-83/h23-72,82-88,94-115H,6-17H2,1-5H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)(H,116,117)(H,118,119)/t23-,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+,75+,76+/m0/s1