No-core glycan structure

Cross-references

GlyTouCan : G74656JE

GlyGen : G74656JE

ChEBI : -

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Composition

Hex:3 HexNAc:2 dHex:3

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IUPAC

Fuc(a1-3)[Gal(b1-4)]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
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

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$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)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@@H]7[C@H](OC([C@@H]([C@H]7O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)O)O)CO)CO)CO)O)NC(=O)C)O)O)O

InCHI key

FTSUPEGPWVEARK-UKLURTQSSA-N

InCHI

InChI=1S/C52H88N2O38/c1-11-23(62)28(67)32(71)48(78-11)89-41-21(53-14(4)60)46(86-40-18(8-57)81-45(77)36(75)44(40)92-50-34(73)30(69)25(64)13(3)80-50)84-20(10-59)39(41)88-52-37(76)43(27(66)17(7-56)83-52)91-47-22(54-15(5)61)42(90-49-33(72)29(68)24(63)12(2)79-49)38(19(9-58)85-47)87-51-35(74)31(70)26(65)16(6-55)82-51/h11-13,16-52,55-59,62-77H,6-10H2,1-5H3,(H,53,60)(H,54,61)/t11-,12-,13-,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-,44+,45?,46-,47-,48-,49-,50-,51-,52-/m0/s1