Complex glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G53098FA
GlyGen : G53098FA
ChEBI : 151700
Composition
IUPAC
Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]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:b-dglc-HEX-1:5 11s:n-acetyl 12b:b-dgal-HEX-1:5 13b:b-dglc-HEX-1:5 14s:n-acetyl 15b:a-dman-HEX-1:5 16b:b-dglc-HEX-1:5 17s:n-acetyl 18b:a-lgal-HEX-1:5|6:d 19b:b-dgal-HEX-1:5 20b: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 11:10o(4+1)12d 12:5o(4+1)13d 13:13d(2+1)14n 14:5o(6+1)15d 15:15o(2+1)16d 16:16d(2+1)17n 17:16o(3+1)18d 18:16o(4+1)19d 19:1o(6+1)20d
GWS
freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-4][DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-6]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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)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
KEGFBXFGFGSPMV-GRIZGLQHSA-N
InCHI
InChI=1S/C96H160N6O69/c1-21-47(119)59(131)65(137)89(147-21)145-19-39-76(55(127)41(83(144)149-39)97-23(3)113)162-86-44(100-26(6)116)57(129)74(36(16-110)156-86)165-94-71(143)80(169-96-82(171-87-45(101-27(7)117)58(130)73(35(15-109)157-87)164-92-68(140)62(134)51(123)31(11-105)152-92)70(142)75(37(17-111)159-96)161-85-43(99-25(5)115)56(128)72(34(14-108)155-85)163-91-67(139)61(133)50(122)30(10-104)151-91)78(166-84-42(98-24(4)114)54(126)49(121)29(9-103)150-84)40(160-94)20-146-95-81(64(136)53(125)33(13-107)154-95)170-88-46(102-28(8)118)79(168-90-66(138)60(132)48(120)22(2)148-90)77(38(18-112)158-88)167-93-69(141)63(135)52(124)32(12-106)153-93/h21-22,29-96,103-112,119-144H,9-20H2,1-8H3,(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)/t21-,22-,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+,77+,78+,79+,80+,81-,82-,83+,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96+/m0/s1