Core 2 glycan structure

Cross-references

GlyTouCan : G37239FO

GlyGen : G37239FO

ChEBI : 150736

UniCarb-DB :

• 57
• 58
• 59
• 60
• 166
• 2831
• 2833
• 2899
• 2900
• 2901

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Composition

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

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IUPAC

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

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-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](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[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)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)O)NC(=O)C)O)O)O

InCHI key

LMILNWBZYXWTPO-IYLJMVJQSA-N

InCHI

InChI=1S/C51H85N3O37/c1-12-26(64)32(70)35(73)46(80-12)88-41-25(54-16(5)61)45(79-11-22-31(69)39(24(44(76)82-22)53-15(4)60)87-49-43(34(72)29(67)19(8-56)84-49)89-47-36(74)33(71)27(65)13(2)81-47)85-21(10-58)38(41)86-48-37(75)42(30(68)20(9-57)83-48)91-51(50(77)78)6-17(62)23(52-14(3)59)40(90-51)28(66)18(63)7-55/h12-13,17-49,55-58,62-76H,6-11H2,1-5H3,(H,52,59)(H,53,60)(H,54,61)(H,77,78)/t12-,13-,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