Complex glycan structure

Cross-references

GlyTouCan : G83945MQ

GlyGen : G83945MQ

ChEBI : 154759

---

Composition

Hex:4 HexNAc:6 dHex:1

---

GlycoCT

RES
1b:x-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:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16s:n-acetyl
17b:a-lgal-HEX-1:5|6:d
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
9:5o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15d(2+1)16n
16:1o(6+1)17d

GWS

freeEnd--??1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p((--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,p)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)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@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)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)O)O)NC(=O)C)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)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)O

InCHI key

SVUNDBMIWPEFOQ-WOMXUQMHSA-N

InCHI

InChI=1S/C78H130N6O55/c1-18-41(99)53(111)57(115)74(121-18)119-16-33-63(49(107)35(68(118)122-33)79-19(2)93)133-71-38(82-22(5)96)51(109)62(32(15-92)128-71)135-76-59(117)65(137-78-67(56(114)46(104)29(12-89)127-78)139-73-40(84-24(7)98)52(110)61(31(14-91)130-73)134-75-58(116)54(112)44(102)27(10-87)125-75)64(136-70-37(81-21(4)95)48(106)43(101)26(9-86)124-70)34(131-76)17-120-77-66(55(113)45(103)28(11-88)126-77)138-72-39(83-23(6)97)50(108)60(30(13-90)129-72)132-69-36(80-20(3)94)47(105)42(100)25(8-85)123-69/h18,25-78,85-92,99-118H,8-17H2,1-7H3,(H,79,93)(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)/t18-,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-,77-,78+/m0/s1