Structure

Cross-references

GlyTouCan : G94490EL

GlyGen : G94490EL

ChEBI : 155142

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Composition

Hex:4 HexNAc:4 dHex:1 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[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
10s:n-acetyl
11s:sulfate
12b:a-dman-HEX-1:5
13b:a-dman-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(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9d(2+1)10n
10:9o(4+1)11n
11:5o(6+1)12d
12:12o(3+1)13d
13:1o(6+1)14d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p--4?1S)--6a1D-Man,p--3a1D-Man,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAc[4S]b1-4DGlcpNAcb1-2DManpa1-3[DManpa1-3DManpa1-6]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[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)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[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

YDLASBONNNCAFA-KYVBOVECSA-N

InCHI

InChI=1S/C62H104N4O48S/c1-14-31(77)40(86)43(89)58(99-14)98-13-26-49(36(82)27(54(93)100-26)63-15(2)73)109-55-28(64-16(3)74)38(84)48(23(10-71)104-55)110-61-46(92)52(35(81)25(107-61)12-97-59-45(91)51(34(80)21(8-69)101-59)111-60-44(90)41(87)32(78)19(6-67)102-60)112-62-53(42(88)33(79)20(7-68)103-62)113-57-29(65-17(4)75)37(83)47(22(9-70)105-57)108-56-30(66-18(5)76)39(85)50(24(11-72)106-56)114-115(94,95)96/h14,19-62,67-72,77-93H,6-13H2,1-5H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H,94,95,96)/t14-,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-,57-,58+,59-,60+,61-,62+/m0/s1