Structure

Cross-references

GlyTouCan : G93470LV

GlyGen : G93470LV

ChEBI : 155567

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Composition

Hex:2 HexNAc:2 NeuAc:2

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IUPAC

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

GlycoCT

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

GWS

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

InCHI key

ODDCXQOOBRPVBX-NFGCKISZSA-N

InCHI

InChI=1S/C50H82N4O37/c1-13(60)51-25-17(64)5-49(47(77)78,89-39(25)29(68)19(66)7-55)81-12-24-33(72)38(28(43(76)82-24)54-16(4)63)87-45-35(74)41(31(70)21(9-57)83-45)88-44-27(53-15(3)62)34(73)37(23(11-59)85-44)86-46-36(75)42(32(71)22(10-58)84-46)91-50(48(79)80)6-18(65)26(52-14(2)61)40(90-50)30(69)20(67)8-56/h17-46,55-59,64-76H,5-12H2,1-4H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)(H,77,78)(H,79,80)/t17-,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-,49+,50-/m0/s1