Complex glycan structure

Cross-references

GlyTouCan : G75850OP

GlyGen : G75850OP

ChEBI : 71035

UniCarb-DB :

• 432
• 2207

---

Composition

Hex:5 HexNAc:4 NeuAc:1

---

IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)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:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
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
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:5o(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--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,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[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)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)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O

InCHI key

RJMGSKHQZFHLQW-SMEMFVMISA-N

InCHI

InChI=1S/C73H121N5O54/c1-17(87)74-33-22(92)6-73(72(112)113,132-59(33)38(94)23(93)7-79)115-16-32-42(98)49(105)53(109)68(124-32)127-57-29(13-85)121-65(36(46(57)102)77-20(4)90)130-61-50(106)40(96)25(9-81)118-70(61)114-15-31-43(99)60(54(110)69(123-31)128-58-30(14-86)120-64(35(45(58)101)76-19(3)89)125-55-27(11-83)116-63(111)34(44(55)100)75-18(2)88)129-71-62(51(107)41(97)26(10-82)119-71)131-66-37(78-21(5)91)47(103)56(28(12-84)122-66)126-67-52(108)48(104)39(95)24(8-80)117-67/h22-71,79-86,92-111H,6-16H2,1-5H3,(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,112,113)/t22-,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+,73+/m0/s1