Core 1 glycan structure

Cross-references

GlyTouCan : G63443GA

GlyGen : G63443GA

ChEBI : 152678

UniCarb-DB :

• 53
• 487

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-3)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:a-lgal-HEX-1:5|6:d
7b:b-dgal-HEX-1:5
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s: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(3+1)6d
6:4o(4+1)7d
7:7o(3+2)8d
8:8d(5+1)9n

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-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)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(=O)C)CO)O)NC(=O)C)O)O)O

InCHI key

NCBOSYJQWWNKDD-RIBXWVETSA-N

InCHI

InChI=1S/C45H75N3O33/c1-11-24(59)29(64)30(65)41(71-11)78-36-23(48-14(4)56)40(79-37-27(62)18(8-51)73-42(31(37)66)77-34-22(47-13(3)55)39(68)72-17(7-50)26(34)61)75-20(10-53)33(36)76-43-32(67)38(28(63)19(9-52)74-43)81-45(44(69)70)5-15(57)21(46-12(2)54)35(80-45)25(60)16(58)6-49/h11,15-43,49-53,57-68H,5-10H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)/t11-,15-,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-,45-/m0/s1