Undefined core glycan structure

Cross-references

GlyTouCan : G73128RS

GlyGen : G73128RS

ChEBI : 153456

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Composition

Hex:3 HexNAc:2 dHex:1 NeuAc:1

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IUPAC

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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
10s: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(6+1)8d
8:1o(6+2)9d
9:9d(5+1)10n

GWS

freeEnd--?a1D-GalNAc,p(--3?1D-Gal,p(--2a1L-Fuc,p)--4b1D-GlcNAc,p--4a1Glc--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)O)O)O)NC(=O)C)O)O)O)O

InCHI key

PYUYDCLJEFLOLU-BTNWBOPLSA-N

InCHI

InChI=1S/C51H85N3O38/c1-12-26(64)32(70)36(74)47(82-12)91-43-38(76)40(88-45-24(53-14(3)60)31(69)39(19(8-57)85-45)89-48-37(75)34(72)29(67)21(87-48)10-80-46-35(73)33(71)28(66)18(7-56)84-46)20(9-58)86-49(43)90-41-25(54-15(4)61)44(77)83-22(30(41)68)11-81-51(50(78)79)5-16(62)23(52-13(2)59)42(92-51)27(65)17(63)6-55/h12,16-49,55-58,62-77H,5-11H2,1-4H3,(H,52,59)(H,53,60)(H,54,61)(H,78,79)/t12-,16-,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?,51+/m0/s1