Complex glycan structure

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N-Linked / Complex (avg mass : 1869.7555)

3D structure from GLYCAM

Cross-references

GlyTouCan : G00176HZ

GlyGen : G00176HZ

ChEBI : 146062


Composition

Hex:3 HexNAc:6 dHex:1


IUPAC

GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[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-dglc-HEX-1:5
10s:n-acetyl
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b: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
8:6o(4+1)9d
9:9d(2+1)10n
10:5o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n
13:11o(6+1)14d
14:14d(2+1)15n
15:1o(6+1)16d

GWS

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

Glycam

DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-2[DGlcpNAcb1-6]DManpa1-6]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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)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)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

PGTDLFPVIBFGLO-JCVPLPNOSA-N

InCHI

InChI=1S/C72H120N6O50/c1-17-39(91)52(104)54(106)69(113-17)111-16-32-59(50(102)33(63(109)114-32)73-18(2)85)124-68-38(78-23(7)90)51(103)57(28(12-83)119-68)125-70-56(108)60(126-72-62(128-67-37(77-22(6)89)49(101)43(95)27(11-82)118-67)55(107)58(29(13-84)120-72)123-65-35(75-20(4)87)47(99)41(93)25(9-80)116-65)45(97)31(121-70)15-112-71-61(127-66-36(76-21(5)88)48(100)42(94)26(10-81)117-66)53(105)44(96)30(122-71)14-110-64-34(74-19(3)86)46(98)40(92)24(8-79)115-64/h17,24-72,79-84,91-109H,8-16H2,1-7H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t17-,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+/m0/s1