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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2R,3R,4S,5S,6R)- 2- [(2R,3R,4R,5S,6R)- 3- acetamido- 2- [(3R,4R,5R,6R)- 3- acetamido- 2,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
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CHEBI:146718 |
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![](images/goldenstar.gif) ![](images/goldenstar.gif)
This entity has been manually annotated by a third party.
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Gareth Owen
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Molfile
XML
SDF
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InChI=1S/C33H55N3O24/c1- 9(41) 34- 17- 12(44) 4- 33(32(52) 53,59- 27(17) 20(46) 13(45) 5- 37) 60- 28- 23(49) 16(8- 40) 56- 31(24(28) 50) 58- 26- 19(36- 11(3) 43) 30(55- 15(7- 39) 22(26) 48) 57- 25- 18(35- 10(2) 42) 29(51) 54- 14(6- 38) 21(25) 47/h12- 31,37- 40,44- 51H,4- 8H2,1- 3H3,(H,34,41) (H,35,42) (H,36,43) (H,52,53) /t12- ,13+,14+,15+,16+,17+,18+,19+,20+,21- ,22+,23- ,24+,25+,26+,27+,28- ,29?,30- ,31- ,33- /m0/s1 |
XUODHOBHGNCZSD-RIPJNREHSA-N |
O([C@@H] 1[C@@H] (NC(=O) C) [C@@H] (O[C@@H] ([C@H] 1O) CO) O[C@@H] 2[C@@H] (NC(=O) C) C(O[C@@H] ([C@@H] 2O) CO) O) [C@@H] 3O[C@@H] ([C@H] (O) [C@H] (O[C@] 4(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C4) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] 3O) CO |
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Outgoing
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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2R,3R,4S,5S,6R)- 2- [(2R,3R,4R,5S,6R)- 3- acetamido- 2- [(3R,4R,5R,6R)- 3- acetamido- 2,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:146718)
is a
neuraminic acids
(CHEBI:25508)
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5- acetamido- 3,5- dideoxy- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >3)- beta- D- galacto- hexopyranosyl- (1- >3)- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >3)- 2- acetamido- 2- deoxy- D- galacto- hexopyranose
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SUBMITTER
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NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-3)GalNAc
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SUBMITTER
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WURCS=2.0/4,4,3/[a2112h- 1x_1- 5_2*NCC/3=O][a2122h- 1b_1- 5_2*NCC/3=O][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCC/3=O]/1- 2- 3- 4/a3- b1_b3- c1_c3- d2
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SUBMITTER
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