Structure

Cross-references

GlyTouCan : G45917UD

GlyGen : G45917UD

ChEBI : -

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Composition

Hex:5 HexNAc:7 dHex:3

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-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:a-dgal-HEX-1:5
12s:n-acetyl
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:a-lgal-HEX-1:5|6:d
17b:a-dgal-HEX-1:5
18s:n-acetyl
19b:b-dglc-HEX-1:5
20s:n-acetyl
21b:b-dgal-HEX-1:5
22b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(2+1)10d
10:9o(3+1)11d
11:11d(2+1)12n
12:6o(6+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(2+1)16d
16:15o(3+1)17d
17:17d(2+1)18n
18:1o(6+1)19d
19:19d(2+1)20n
20:19o(4+1)21d
21:21o(2+1)22d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-3[DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-6]DGalpb1-4DGlcpNAcb1-3DGalpb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)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@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)O)NC(=O)C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)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)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)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)CO)CO)O)O)O)O)O

InCHI key

NBJCXDVJUVMXPT-WSWFBDHLSA-N

InCHI

InChI=1S/C104H173N7O73/c1-23-52(129)69(146)73(150)97(158-23)182-87-72(149)57(134)35(13-114)165-102(87)174-79-39(17-118)168-91(47(65(79)142)107-28(6)124)156-21-43-61(138)82(51(90(155)161-43)111-32(10)128)177-100-76(153)83(58(135)36(14-115)164-100)178-95-49(109-30(8)126)67(144)78(41(19-120)170-95)173-101-77(154)84(179-96-50(110-31(9)127)68(145)81(42(20-121)171-96)176-104-89(184-99-75(152)71(148)54(131)25(3)160-99)86(60(137)38(16-117)167-104)181-94-46(106-27(5)123)64(141)56(133)34(12-113)163-94)62(139)44(172-101)22-157-92-48(108-29(7)125)66(143)80(40(18-119)169-92)175-103-88(183-98-74(151)70(147)53(130)24(2)159-98)85(59(136)37(15-116)166-103)180-93-45(105-26(4)122)63(140)55(132)33(11-112)162-93/h23-25,33-104,112-121,129-155H,11-22H2,1-10H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)/t23-,24-,25-,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-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1