Complex glycan structure

Cross-references

GlyTouCan : G87457SB

GlyGen : G87457SB

ChEBI : 154857

---

Composition

Hex:5 HexNAc:4 NeuAc:4

---

IUPAC

NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
19s:n-acetyl
20b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
21s:n-acetyl
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(3+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:7o(6+2)12d
12:12d(5+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(3+1)17d
17:17o(3+2)18d
18:18d(5+1)19n
19:15o(6+2)20d
20:20d(5+1)21n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,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]([C@@H]([C@H](O[C@@H]3OC[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)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[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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)NC(=O)C)O)CO)O)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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)O

InCHI key

XSCOVMNQWBQLKK-YJOMHJPGSA-N

InCHI

InChI=1S/C106H172N8O78/c1-26(125)107-51-34(133)9-103(99(160)161,187-81(51)59(141)38(137)13-115)169-24-49-67(149)79(182-95-75(157)86(65(147)44(19-121)172-95)191-105(101(164)165)11-36(135)53(109-28(3)127)83(189-105)61(143)40(139)15-117)57(113-32(7)131)92(177-49)185-88-72(154)63(145)42(17-119)174-97(88)168-23-48-69(151)85(74(156)94(179-48)181-78-47(22-124)176-91(56(71(78)153)112-31(6)130)180-77-46(21-123)171-90(159)55(70(77)152)111-30(5)129)184-98-89(73(155)64(146)43(18-120)175-98)186-93-58(114-33(8)132)80(68(150)50(178-93)25-170-104(100(162)163)10-35(134)52(108-27(2)126)82(188-104)60(142)39(138)14-116)183-96-76(158)87(66(148)45(20-122)173-96)192-106(102(166)167)12-37(136)54(110-29(4)128)84(190-106)62(144)41(140)16-118/h34-98,115-124,133-159H,9-25H2,1-8H3,(H,107,125)(H,108,126)(H,109,127)(H,110,128)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,160,161)(H,162,163)(H,164,165)(H,166,167)/t34-,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-,96-,97-,98+,103+,104+,105-,106-/m0/s1