Complex glycan structure

Cross-references

GlyTouCan : G95960IL

GlyGen : G95960IL

ChEBI : 155534

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Composition

Hex:6 HexNAc:4 NeuAc:3

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s:n-acetyl
15b:a-dman-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
20s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:7o(6+2)8d
8:8d(5+1)9n
9:4o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(3+2)13d
13:13d(5+1)14n
14:3o(6+1)15d
15:15o(2+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18o(6+2)19d
19:19d(5+1)20n

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)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[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)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[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)CO)O)O)CO)O)O)O)O

InCHI key

FLJALCGFYSZGGD-MSJWCRFSSA-N

InCHI

InChI=1S/C101H165N7O75/c1-24(119)102-47-31(126)8-99(96(153)154,180-79(47)54(132)34(129)11-109)160-22-45-58(136)66(144)69(147)90(170-45)173-75-40(17-115)166-88(52(64(75)142)107-29(6)124)178-84-68(146)57(135)37(14-112)164-94(84)159-21-44-61(139)82(72(150)92(169-44)175-74-39(16-114)162-86(152)50(62(74)140)105-27(4)122)177-95-85(179-89-53(108-30(7)125)65(143)76(41(18-116)167-89)174-91-70(148)67(145)59(137)46(171-91)23-161-100(97(155)156)9-32(127)48(103-25(2)120)80(181-100)55(133)35(130)12-110)71(149)78(43(20-118)168-95)172-87-51(106-28(5)123)63(141)77(42(19-117)165-87)176-93-73(151)83(60(138)38(15-113)163-93)183-101(98(157)158)10-33(128)49(104-26(3)121)81(182-101)56(134)36(131)13-111/h31-95,109-118,126-152H,8-23H2,1-7H3,(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,153,154)(H,155,156)(H,157,158)/t31-,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+,99+,100+,101-/m0/s1