Structure

Cross-references

GlyTouCan : G62389NM

GlyGen : G62389NM

ChEBI : 152491

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Composition

Hex:5 HexNAc:3 dHex:1

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IUPAC

Gal(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
10b:a-dman-HEX-1:5
11b:a-dman-HEX-1:5
12b: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
9:5o(6+1)10d
10:10o(3+1)11d
11:1o(6+1)12d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[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)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

OZYVCVHEMKHHDA-RDOMVSJBSA-N

InCHI

InChI=1S/C60H101N3O45/c1-13-28(73)37(82)41(86)55(94-13)93-12-24-48(34(79)25(52(91)95-24)61-14(2)70)103-53-26(62-15(3)71)35(80)47(22(10-69)100-53)105-59-45(90)50(33(78)23(102-59)11-92-56-44(89)49(32(77)20(8-67)96-56)106-58-43(88)39(84)30(75)18(6-65)98-58)107-60-51(40(85)31(76)19(7-66)99-60)108-54-27(63-16(4)72)36(81)46(21(9-68)101-54)104-57-42(87)38(83)29(74)17(5-64)97-57/h13,17-60,64-69,73-91H,5-12H2,1-4H3,(H,61,70)(H,62,71)(H,63,72)/t13-,17+,18+,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+/m0/s1