Complex glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G24748QU
GlyGen : G24748QU
ChEBI : 148976
Composition
IUPAC
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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:b-dglc-HEX-1:5 11s:n-acetyl 12b:b-dgal-HEX-1:5 13b:a-dman-HEX-1:5 14b:b-dglc-HEX-1:5 15s:n-acetyl 16b: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(2+1)7d 7:7d(2+1)8n 8:7o(4+1)9d 9:9o(3+1)10d 10:10d(2+1)11n 11:10o(4+1)12d 12:5o(6+1)13d 13:13o(2+1)14d 14:14d(2+1)15n 15:14o(4+1)16d
GWS
freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[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)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[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)NC(=O)C)O
InCHI key
UOVJRQGWDSFIFH-JVMOWAEMSA-N
InCHI
InChI=1S/C76H127N5O56/c1-17(92)77-33-44(103)57(27(11-87)118-66(33)116)129-67-34(78-18(2)93)45(104)61(30(14-90)124-67)133-74-56(115)63(43(102)32(128-74)16-117-75-64(51(110)40(99)24(8-84)122-75)136-69-36(80-20(4)95)47(106)59(29(13-89)126-69)131-72-54(113)50(109)39(98)23(7-83)120-72)135-76-65(52(111)41(100)25(9-85)123-76)137-70-37(81-21(5)96)48(107)60(31(15-91)127-70)132-73-55(114)62(42(101)26(10-86)121-73)134-68-35(79-19(3)94)46(105)58(28(12-88)125-68)130-71-53(112)49(108)38(97)22(6-82)119-71/h22-76,82-91,97-116H,6-16H2,1-5H3,(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)/t22-,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+,63+,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76-/m1/s1