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(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3R,4R,5R)- 5- acetamido- 4- [(3R,4R,5S,6R)- 3- acetamido- 5- hydroxy- 6- (hydroxymethyl)- 4- [(2R,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxyoxan- 2- yl]oxy- 3,6- dihydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
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CHEBI:150901 |
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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(40) 34- 17- 12(43) 4- 33(32(52) 53,60- 28(17) 20(45) 13(44) 5- 37) 54- 8- 16- 23(48) 26(18(29(51) 55- 16) 35- 10(2) 41) 58- 30- 19(36- 11(3) 42) 27(22(47) 15(7- 39) 56- 30) 59- 31- 25(50) 24(49) 21(46) 14(6- 38) 57- 31/h12- 31,37- 39,43- 51H,4- 8H2,1- 3H3,(H,34,40) (H,35,41) (H,36,42) (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 |
XYIZBPCRLINKPW-DGZDGVQYSA-N |
O([C@H] 1[C@@H] (O) [C@H] (OC(O) [C@@H] 1NC(=O) C) CO[C@] 2(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C2) [C@H] (O) [C@H] (O) CO) C(O) =O) C3O[C@@H] ([C@@H] (O) [C@H] (O[C@@H] 4O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 4O) CO) [C@H] 3NC(=O) C) CO |
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Outgoing
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(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3R,4R,5R)- 5- acetamido- 4- [(3R,4R,5S,6R)- 3- acetamido- 5- hydroxy- 6- (hydroxymethyl)- 4- [(2R,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxyoxan- 2- yl]oxy- 3,6- dihydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:150901)
is a
neuraminic acids
(CHEBI:25508)
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beta- D- galacto- hexopyranosyl- (1- >3)- 2- acetamido- 2- deoxy- D- gluco- hexopyranosyl- (1- >3)- [5- acetamido- 3,5- dideoxy- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >6)]- 2- acetamido- 2- deoxy- D- galacto- hexopyranose
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SUBMITTER
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Gal(b1-3)GlcNAc(?1-3)[NeuAc(a2-6)]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- 1x_1- 5_2*NCC/3=O][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCC/3=O]/1- 2- 3- 4/a3- b1_a6- d2_b3- c1
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SUBMITTER
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