No-core glycan structure

Cross-references

GlyTouCan : G23154TX

GlyGen : G23154TX

ChEBI : -

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Composition

Hex:3 HexNAc:2 dHex:4

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IUPAC

Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)[Fuc(a1-3)]Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p(--3a1L-Fuc,p)--4b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--2a1L-Fuc,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@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)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O)CO)O[C@@H]8[C@H](OC([C@@H]([C@H]8O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O)O)CO)NC(=O)C)O)O)O

InCHI key

YTEFRVQEQDGQLR-CMDSYYMTSA-N

InCHI

InChI=1S/C58H98N2O42/c1-12-25(68)31(74)36(79)53(86-12)98-45-23(59-16(5)66)51(95-44-20(9-63)90-50(85)40(83)48(44)101-55-38(81)33(76)27(70)14(3)88-55)93-21(10-64)42(45)96-57-41(84)47(30(73)19(8-62)91-57)100-52-24(60-17(6)67)46(99-54-37(80)32(75)26(69)13(2)87-54)43(22(11-65)94-52)97-58-49(35(78)29(72)18(7-61)92-58)102-56-39(82)34(77)28(71)15(4)89-56/h12-15,18-58,61-65,68-85H,7-11H2,1-6H3,(H,59,66)(H,60,67)/t12-,13-,14-,15-,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+,50?,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1