Core 3 glycan structure

Cross-references

GlyTouCan : G78315BS

GlyGen : G78315BS

ChEBI : 153993

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]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:a-lgal-HEX-1:5|6:d
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
3:3d(2+1)4n
4:3o(3+1)5d
5:3o(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-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,p)--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](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)CO[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)NC(=O)C)NC(=O)C)O)O)O

InCHI key

BAVVWNSMHVPIES-MDWZJJLNSA-N

InCHI

InChI=1S/C50H82N4O36/c1-13-29(67)34(72)35(73)45(81-13)87-41-28(54-17(5)62)44(86-38-27(53-16(4)61)43(75)82-24(33(38)71)12-80-49(47(76)77)6-18(63)25(51-14(2)59)39(88-49)30(68)20(65)8-55)84-23(11-58)37(41)85-46-36(74)42(32(70)22(10-57)83-46)90-50(48(78)79)7-19(64)26(52-15(3)60)40(89-50)31(69)21(66)9-56/h13,18-46,55-58,63-75H,6-12H2,1-5H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,76,77)(H,78,79)/t13-,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