Structure

Cross-references

GlyTouCan : G04576KS

GlyGen : G04576KS

ChEBI : 146724

UniCarb-DB :

• 430
• 2206
• 2522

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Composition

Hex:6 HexNAc:3 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-3)[Man(a1-6)]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-dman-HEX-1:5
13b:a-dman-HEX-1:5
14b:a-dman-HEX-1:5
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
9:9o(6+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(3+1)13d
13:12o(6+1)14d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man(--3a1Man)--6a1Man$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]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)O)CO)O)O)O)O

InCHI key

QWBBYWKIEBQAQM-MHJJNJBDSA-N

InCHI

InChI=1S/C71H118N4O54/c1-16(83)72-31-20(87)5-71(70(109)110,129-57(31)35(89)21(88)6-76)113-15-30-39(93)47(101)51(105)67(122-30)124-55-26(11-81)119-63(34(44(55)98)75-19(4)86)128-60-48(102)38(92)24(9-79)117-69(60)127-59-41(95)29(121-68(53(59)107)125-56-27(12-82)118-62(33(43(56)97)74-18(3)85)123-54-25(10-80)114-61(108)32(42(54)96)73-17(2)84)14-112-65-52(106)58(126-66-50(104)46(100)37(91)23(8-78)116-66)40(94)28(120-65)13-111-64-49(103)45(99)36(90)22(7-77)115-64/h20-69,76-82,87-108H,5-15H2,1-4H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,109,110)/t20-,21+,22+,23+,24+,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+,71+/m0/s1