Complex glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G67942CH
GlyGen : G67942CH
ChEBI : 153046
UniCarb-DB :
Composition
IUPAC
GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)][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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 11s:n-acetyl 12b:b-dglc-HEX-1:5 13s:n-acetyl 14b:a-dman-HEX-1:5 15b:b-dglc-HEX-1:5 16s:n-acetyl 17b: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 9:9o(6+2)10d 10:10d(5+1)11n 11:5o(4+1)12d 12:12d(2+1)13n 13:5o(6+1)14d 14:14o(2+1)15d 15:15d(2+1)16n 16:1o(6+1)17d
GWS
freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd
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)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)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[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O
InCHI key
WDFKEFXPEOTOJN-OTZLEHKLSA-N
InCHI
InChI=1S/C81H134N6O58/c1-19-43(103)55(115)59(119)75(128-19)125-16-35-64(52(112)38(70(122)129-35)83-21(3)96)138-73-41(86-24(6)99)53(113)63(33(15-94)134-73)140-77-61(121)67(65(141-71-39(84-22(4)97)50(110)45(105)28(10-89)130-71)36(137-77)17-126-78-68(57(117)47(107)30(12-91)132-78)143-72-40(85-23(5)98)51(111)46(106)29(11-90)131-72)142-79-69(58(118)48(108)31(13-92)133-79)144-74-42(87-25(7)100)54(114)62(32(14-93)135-74)139-76-60(120)56(116)49(109)34(136-76)18-127-81(80(123)124)8-26(101)37(82-20(2)95)66(145-81)44(104)27(102)9-88/h19,26-79,88-94,101-122H,8-18H2,1-7H3,(H,82,95)(H,83,96)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,123,124)/t19-,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-,77-,78-,79+,81+/m0/s1