No-core glycan structure

Cross-references

GlyTouCan : G21672MV

GlyGen : G21672MV

ChEBI : 148370

---

Composition

Hex:4 HexNAc:4 dHex:3

---

IUPAC

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

GWS

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

Glycam

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

InCHI key

MAFMOSSHONTDFO-JOIJMPANSA-N

InCHI

InChI=1S/C74H124N4O53/c1-16-35(88)44(97)51(104)68(114-16)112-15-30-58(42(95)31(64(110)117-30)75-19(4)84)125-66-32(76-20(5)85)43(96)57(25(10-81)121-66)126-73-56(109)49(102)40(93)28(123-73)14-113-74-63(131-67-34(78-22(7)87)62(130-70-53(106)46(99)37(90)18(3)116-70)60(27(12-83)122-67)128-72-55(108)48(101)39(92)24(9-80)119-72)50(103)41(94)29(124-74)13-111-65-33(77-21(6)86)61(129-69-52(105)45(98)36(89)17(2)115-69)59(26(11-82)120-65)127-71-54(107)47(100)38(91)23(8-79)118-71/h16-18,23-74,79-83,88-110H,8-15H2,1-7H3,(H,75,84)(H,76,85)(H,77,86)(H,78,87)/t16-,17-,18-,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