Complex glycan structure

Cross-references

GlyTouCan : G14996IQ

GlyGen : G14996IQ

ChEBI : 147832

---

Composition

Hex:4 HexNAc:3 NeuAc:1

---

IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:a-dman-HEX-1:5
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
9:9o(3+2)10d
10:10d(5+1)11n
11:5o(6+1)12d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man$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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)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]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)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)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)CO)O)O)CO)CO)O)O

InCHI key

GHHHHGGQKQHNMQ-ODFDRISTSA-N

InCHI

InChI=1S/C59H98N4O44/c1-14(71)60-27-18(75)5-59(58(91)92,106-47(27)31(77)19(76)6-64)107-49-34(80)22(9-67)96-56(43(49)89)103-46-25(12-70)99-53(30(38(46)84)63-17(4)74)105-50-40(86)33(79)21(8-66)97-57(50)104-48-35(81)26(13-93-54-41(87)39(85)32(78)20(7-65)95-54)100-55(42(48)88)102-45-24(11-69)98-52(29(37(45)83)62-16(3)73)101-44-23(10-68)94-51(90)28(36(44)82)61-15(2)72/h18-57,64-70,75-90H,5-13H2,1-4H3,(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,91,92)/t18-,19+,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+,59-/m0/s1