Complex glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G41331JX
GlyGen : G41331JX
ChEBI : 150378
Composition
IUPAC
Fuc(a1-2)Gal(b1-4)GlcNAc(b1-2)Man(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:a-lgal-HEX-1:5|6:d 11b:b-dglc-HEX-1:5 12s:n-acetyl 13b:a-dman-HEX-1:5 14b:b-dglc-HEX-1:5 15s:n-acetyl 16b:b-dgal-HEX-1:5 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(2+1)10d 10:5o(4+1)11d 11:11d(2+1)12n 12:5o(6+1)13d 13:13o(2+1)14d 14:14d(2+1)15n 15:14o(4+1)16d 16:1o(6+1)17d
GWS
freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd
Glycam
LFucpa1-2DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-4][DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O
InCHI key
SPVXLONISGQWPW-PGXKAADUSA-N
InCHI
InChI=1S/C82H137N5O59/c1-18-40(101)52(113)58(119)76(126-18)124-16-33-65(48(109)35(71(123)128-33)83-20(3)96)138-73-37(85-22(5)98)49(110)63(31(14-94)134-73)140-79-61(122)67(143-82-69(56(117)45(106)29(12-92)133-82)145-75-39(87-24(7)100)51(112)64(32(15-95)136-75)141-81-70(57(118)46(107)28(11-91)132-81)146-77-59(120)53(114)41(102)19(2)127-77)66(142-72-36(84-21(4)97)47(108)42(103)25(8-88)129-72)34(137-79)17-125-80-68(55(116)44(105)27(10-90)131-80)144-74-38(86-23(6)99)50(111)62(30(13-93)135-74)139-78-60(121)54(115)43(104)26(9-89)130-78/h18-19,25-82,88-95,101-123H,8-17H2,1-7H3,(H,83,96)(H,84,97)(H,85,98)(H,86,99)(H,87,100)/t18-,19-,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-,75-,76+,77-,78-,79-,80-,81-,82+/m0/s1