Structure

Cross-references

GlyTouCan : G13181ZZ

GlyGen : G13181ZZ

ChEBI : 148025

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Composition

Hex:3 HexNAc:2 dHex:1 Pent:1

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IUPAC

Man(a1-3)[Man(a1-6)][Xyl(b1-2)]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:b-dxyl-PEN-1:5
7b:a-dman-HEX-1:5
8b:a-dman-HEX-1:5
9b: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(2+1)6d
6:5o(3+1)7d
7:5o(6+1)8d
8:1o(6+1)9d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p((--2b1D-Xyl,p)--3a1D-Man,p)--6a1D-Man,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DManpa1-3[DManpa1-6][DXylpb1-2]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)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)NC(=O)C)O)O)O

InCHI key

IAWSVHQCOIVGAH-YDEYQLPSSA-N

InCHI

InChI=1S/C45H76N2O34/c1-10-21(54)28(61)32(65)41(72-10)71-9-18-36(26(59)19(39(68)73-18)46-11(2)51)78-40-20(47-12(3)52)27(60)35(16(6-50)76-40)79-45-38(81-43-31(64)22(55)13(53)7-69-43)37(80-44-34(67)30(63)24(57)15(5-49)75-44)25(58)17(77-45)8-70-42-33(66)29(62)23(56)14(4-48)74-42/h10,13-45,48-50,53-68H,4-9H2,1-3H3,(H,46,51)(H,47,52)/t10-,13+,14+,15+,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-/m0/s1