Undefined core glycan structure

Cross-references

GlyTouCan : G52524NI

GlyGen : G52524NI

ChEBI : 151647

---

Composition

Hex:4 HexNAc:2 dHex:1 NeuAc:1

---

IUPAC

Man(a1-4)[Man(a1-6)]Glc(a1-4)GlcNAc(b1-4)[Fuc(a1-2)]Gal(?1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3?1D-Gal,p(--2a1L-Fuc,p)--4b1D-GlcNAc,p--4a1Glc(--4a1Man)--6a1Man)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)NC(=O)C)O)O)O)O

InCHI key

QUPKVSQQDRJWKY-XDASDHKMSA-N

InCHI

InChI=1S/C57H95N3O43/c1-13-28(71)34(77)39(82)52(91-13)102-48-42(85)44(22(10-65)96-55(48)101-46-27(60-16(4)68)49(86)92-23(32(46)75)12-90-57(56(87)88)5-17(69)25(58-14(2)66)47(103-57)29(72)18(70)6-61)98-50-26(59-15(3)67)33(76)43(21(9-64)95-50)99-54-41(84)37(80)45(100-53-40(83)36(79)31(74)20(8-63)94-53)24(97-54)11-89-51-38(81)35(78)30(73)19(7-62)93-51/h13,17-55,61-65,69-86H,5-12H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,87,88)/t13-,17-,18+,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?,57+/m0/s1