Complex glycan structure

Cross-references

GlyTouCan : G10691MJ

GlyGen : G10691MJ

ChEBI : 147213

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Composition

Hex:5 HexNAc:5 dHex:1

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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-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
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
8:7o(4+1)9d
9:6o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:1o(6+1)16d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)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)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

RNTRHKBHXLNYBR-NRZMDHJFSA-N

InCHI

InChI=1S/C76H127N5O55/c1-17-38(95)49(106)53(110)71(118-17)116-16-32-62(45(102)33(66(115)119-32)77-18(2)90)130-68-35(79-20(4)92)46(103)60(29(13-88)124-68)133-74-57(114)63(43(100)31(128-74)15-117-75-64(52(109)42(99)26(10-85)123-75)135-69-36(80-21(5)93)47(104)58(27(11-86)125-69)131-72-54(111)50(107)40(97)24(8-83)121-72)134-76-65(56(113)61(30(14-89)127-76)129-67-34(78-19(3)91)44(101)39(96)23(7-82)120-67)136-70-37(81-22(6)94)48(105)59(28(12-87)126-70)132-73-55(112)51(108)41(98)25(9-84)122-73/h17,23-76,82-89,95-115H,7-16H2,1-6H3,(H,77,90)(H,78,91)(H,79,92)(H,80,93)(H,81,94)/t17-,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-,75-,76+/m0/s1