Complex glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G00986YT
GlyGen : G00986YT
ChEBI : 146437
Composition
IUPAC
Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[Gal(b1-4)GlcNAc(b1-4)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)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:b-dglc-HEX-1:5 12s:n-acetyl 13b:b-dgal-HEX-1:5 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(4+1)7d 7:7d(2+1)8n 8:7o(4+1)9d 9:5o(6+1)10d 10:10o(2+1)11d 11:11d(2+1)12n 12:11o(4+1)13d
GWS
freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-4DGlcpNAcb1-4DManpa1-3[DGalpb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)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)O)O)NC(=O)C)O
InCHI key
KZYHSRALMRTNDN-JCLWFGOFSA-N
InCHI
InChI=1S/C62H104N4O46/c1-14(75)63-27-35(83)47(21(8-70)97-54(27)95)106-55-28(64-15(2)76)37(85)50(24(11-73)101-55)110-61-46(94)52(111-60-45(93)42(90)51(25(12-74)104-60)107-56-29(65-16(3)77)36(84)48(22(9-71)102-56)108-58-43(91)39(87)31(79)18(5-67)98-58)34(82)26(105-61)13-96-62-53(41(89)33(81)20(7-69)100-62)112-57-30(66-17(4)78)38(86)49(23(10-72)103-57)109-59-44(92)40(88)32(80)19(6-68)99-59/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,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-,61+,62+/m1/s1