Core 3 glycan structure

Cross-references

GlyTouCan : G78333MH

GlyGen : G78333MH

ChEBI : 153999

---

Composition

Hex:3 HexNAc:5 NeuAc:4

---

IUPAC

GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
16b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
17s:n-acetyl
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(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(3+1)9d
9:9d(2+1)10n
10:9o(4+1)11d
11:11o(3+1)12d
12:12d(2+1)13n
13:11o(6+2)14d
14:14d(5+1)15n
15:8o(6+2)16d
16:16d(5+1)17n
17:5o(6+2)18d
18:18d(5+1)19n
19:1o(6+2)20d
20:20d(5+1)21n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p)--6a2D-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)NC(=O)C)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@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

BBPLFSGDNIHFRV-PJLKTFIVSA-N

InCHI

InChI=1S/C102H165N9O73/c1-26(120)103-51-35(129)10-99(95(154)155,181-80(51)60(137)39(133)14-112)162-22-47-65(142)79(59(87(153)166-47)111-34(9)128)177-89-56(108-31(6)125)70(147)76(44(19-117)168-89)174-93-74(151)85(67(144)49(172-93)24-164-101(97(158)159)12-37(131)53(105-28(3)122)82(183-101)62(139)41(135)16-114)179-91-58(110-33(8)127)72(149)78(46(21-119)170-91)176-94-75(152)86(68(145)50(173-94)25-165-102(98(160)161)13-38(132)54(106-29(4)123)83(184-102)63(140)42(136)17-115)180-90-57(109-32(7)126)71(148)77(45(20-118)169-90)175-92-73(150)84(178-88-55(107-30(5)124)69(146)64(141)43(18-116)167-88)66(143)48(171-92)23-163-100(96(156)157)11-36(130)52(104-27(2)121)81(182-100)61(138)40(134)15-113/h35-94,112-119,129-153H,10-25H2,1-9H3,(H,103,120)(H,104,121)(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,154,155)(H,156,157)(H,158,159)(H,160,161)/t35-,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-,99+,100+,101+,102+/m0/s1