No-core glycan structure

Cross-references

GlyTouCan : G22546XD

GlyGen : G22546XD

ChEBI : 148433

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Composition

Hex:4 HexNAc:4 dHex:2

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)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:b-dglc-HEX-1:5
11s:n-acetyl
12b:a-lgal-HEX-1:5|6:d
13b:b-dgal-HEX-1:5
14b: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(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(3+1)10d
10:10d(2+1)11n
11:10o(3+1)12d
12:10o(4+1)13d
13:1o(6+1)14d

GWS

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

Glycam

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6DManpb1-4DGlcpNAcb1-4[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)O)O)O[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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O)O)NC(=O)C)O)O)O

InCHI key

HQIGDBUUKOIYMF-UVIMJTDMSA-N

InCHI

InChI=1S/C68H114N4O49/c1-15-33(83)42(92)47(97)63(105-15)103-14-28-54(39(89)29(59(102)107-28)69-17(3)79)115-60-30(70-18(4)80)40(90)52(24(10-76)111-60)116-66-50(100)45(95)37(87)27(114-66)13-104-68-58(46(96)36(86)22(8-74)110-68)121-61-31(71-19(5)81)41(91)53(25(11-77)112-61)117-67-51(101)57(38(88)23(9-75)109-67)120-62-32(72-20(6)82)56(119-64-48(98)43(93)34(84)16(2)106-64)55(26(12-78)113-62)118-65-49(99)44(94)35(85)21(7-73)108-65/h15-16,21-68,73-78,83-102H,7-14H2,1-6H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t15-,16-,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+,57-,58-,59+,60-,61-,62-,63+,64-,65-,66-,67-,68-/m0/s1