Complex glycan structure

Cross-references

GlyTouCan : G25407RZ

GlyGen : G25407RZ

ChEBI : 67165

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Composition

Hex:5 HexNAc:4 dHex:2

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)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:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-lgal-HEX-1:5|6:d
15b:b-dgal-HEX-1:5
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(3+1)9d
9:7o(4+1)10d
10:5o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n
13:12o(3+1)14d
14:12o(4+1)15d

GWS

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

Glycam

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-3[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-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)O)O)CO)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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)CO)O)O)NC(=O)C)O)O)O

InCHI key

NBHYRALEXIBZFJ-ZRIWBAKZSA-N

InCHI

InChI=1S/C74H124N4O54/c1-16-35(91)44(100)50(106)68(113-16)128-59-33(77-20(5)89)66(121-28(13-85)57(59)126-70-52(108)46(102)37(93)22(7-79)116-70)131-62-48(104)39(95)24(9-81)118-73(62)112-15-30-41(97)61(54(110)72(123-30)125-56-27(12-84)120-65(32(43(56)99)76-19(4)88)124-55-26(11-83)115-64(111)31(42(55)98)75-18(3)87)130-74-63(49(105)40(96)25(10-82)119-74)132-67-34(78-21(6)90)60(129-69-51(107)45(101)36(92)17(2)114-69)58(29(14-86)122-67)127-71-53(109)47(103)38(94)23(8-80)117-71/h16-17,22-74,79-86,91-111H,7-15H2,1-6H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t16-,17-,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-,69-,70-,71-,72-,73-,74+/m0/s1