Complex glycan structure

Cross-references

GlyTouCan : G12398HZ

GlyGen : G12398HZ

ChEBI : 147855

UniCarb-DB :

• 439

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Composition

Hex:4 HexNAc:3 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc

GlycoCT

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

BNFHTNCKXCGZTF-ZCHFQZOHSA-N

InCHI

InChI=1S/C54H91N3O40/c1-12-26(66)34(74)38(78)50(85-12)84-11-22-44(31(71)23(47(82)86-22)55-13(2)63)93-48-24(56-14(3)64)32(72)43(20(9-62)90-48)95-53-41(81)45(30(70)21(92-53)10-83-51-39(79)35(75)27(67)16(5-58)87-51)96-54-46(37(77)29(69)18(7-60)89-54)97-49-25(57-15(4)65)33(73)42(19(8-61)91-49)94-52-40(80)36(76)28(68)17(6-59)88-52/h12,16-54,58-62,66-82H,5-11H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)/t12-,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-,53-,54+/m0/s1