Structure

Cross-references

GlyTouCan : G64669AQ

GlyGen : G64669AQ

ChEBI : 152918

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Composition

Hex:3 HexNAc:4 dHex:1

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IUPAC

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

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:a-lgal-HEX-1:5|6:d
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dman-HEX-1:5
7b:a-dman-HEX-1:5
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:a-dman-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(4+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7o(2+1)8d
8:8d(2+1)9n
9:6o(6+1)10d
10:10o(2+1)11d
11:11d(2+1)12n

GWS

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

Glycam

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

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[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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)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)CO)O)O)NC(=O)C)O)O)NC(=O)C)CO)O)NC(=O)C)O)O)O

InCHI key

LGASFETYYLFOIX-FKTKEBLFSA-N

InCHI

InChI=1S/C56H94N4O40/c1-13-29(71)38(80)41(83)53(87-13)97-45-28(60-17(5)70)49(85)88-23(11-66)44(45)96-52-27(59-16(4)69)37(79)43(22(10-65)93-52)95-54-42(84)46(98-56-48(40(82)33(75)21(9-64)92-56)100-51-26(58-15(3)68)36(78)31(73)19(7-62)90-51)34(76)24(94-54)12-86-55-47(39(81)32(74)20(8-63)91-55)99-50-25(57-14(2)67)35(77)30(72)18(6-61)89-50/h13,18-56,61-66,71-85H,6-12H2,1-5H3,(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t13-,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-,55-,56+/m0/s1