Structure

Cross-references

GlyTouCan : G58972ZH

GlyGen : G58972ZH

ChEBI : 152380

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Composition

Hex:1 HexNAc:3 NeuAc:2

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IUPAC

GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p)--6a2D-NeuAc,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)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

JCHGSOVIGAUSRB-XWQCPYKMSA-N

InCHI

InChI=1S/C52H85N5O37/c1-14(62)53-27-19(67)6-51(49(80)81,93-42(27)32(71)21(69)8-58)84-12-25-35(74)41(31(45(79)86-25)57-18(5)66)91-47-30(56-17(4)65)38(77)40(24(11-61)88-47)90-48-39(78)44(92-46-29(55-16(3)64)37(76)34(73)23(10-60)87-46)36(75)26(89-48)13-85-52(50(82)83)7-20(68)28(54-15(2)63)43(94-52)33(72)22(70)9-59/h19-48,58-61,67-79H,6-13H2,1-5H3,(H,53,62)(H,54,63)(H,55,64)(H,56,65)(H,57,66)(H,80,81)(H,82,83)/t19-,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-,51+,52+/m0/s1