No-core glycan structure

Cross-references

GlyTouCan : G81252MZ

GlyGen : G81252MZ

ChEBI : -

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Composition

Hex:3 HexNAc:2 dHex:3

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IUPAC

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

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--3b1D-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]([C@H](OC([C@@H]8O)O)CO)O)NC(=O)C)O)O)O

InCHI key

QHZRFRRAKOIBJE-HQLORNHLSA-N

InCHI

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