No-core glycan structure

Cross-references

GlyTouCan : G19499ZH

GlyGen : G19499ZH

ChEBI : 148190

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Composition

Hex:3 HexNAc:3 dHex:2

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IUPAC

Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)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-lgal-HEX-1:5|6:d
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(6+1)6d
6:6o(6+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(2+1)10d
10:1o(6+1)11d

GWS

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

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-6DManpa1-6DManpb1-4DGlcpNAcb1-4[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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)O)NC(=O)C)O)O)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

CCYDBNDICOEMHB-YSMQWOFTSA-N

InCHI

InChI=1S/C54H91N3O39/c1-12-26(64)34(72)39(77)50(85-12)84-11-22-45(31(69)23(47(81)87-22)55-14(3)61)93-49-25(57-16(5)63)33(71)43(19(8-60)90-49)94-53-42(80)37(75)30(68)21(92-53)10-83-51-40(78)36(74)29(67)20(91-51)9-82-48-24(56-15(4)62)32(70)44(18(7-59)89-48)95-54-46(38(76)28(66)17(6-58)88-54)96-52-41(79)35(73)27(65)13(2)86-52/h12-13,17-54,58-60,64-81H,6-11H2,1-5H3,(H,55,61)(H,56,62)(H,57,63)/t12-,13-,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