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(2S,4S,5R,6R)- 6- [(1S,2R)- 2- [(2S,4S,5R,6R)- 5- Acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxy- 1,3- dihydroxypropyl]- 2- [(2R,3S,4S,5R,6S)- 3,5- dihydroxy- 2- (hydroxymethyl)- 6- [(2R,3S,4R,5R,6R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- yl]oxy- 4- hydroxy- 5- [(2- hydroxyacetyl)amino]oxane- 2- carboxylic acid |
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CHEBI:148892 |
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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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No supplier information found for this compound. |
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Molfile
XML
SDF
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InChI=1S/C34H56N2O28/c1- 9(42) 35- 17- 10(43) 2- 33(31(54) 55,62- 26(17) 19(47) 12(45) 4- 37) 61- 14(6- 39) 21(49) 27- 18(36- 16(46) 8- 41) 11(44) 3- 34(63- 27,32(56) 57) 64- 28- 20(48) 13(5- 38) 59- 30(24(28) 52) 60- 25- 15(7- 40) 58- 29(53) 23(51) 22(25) 50/h10- 15,17- 30,37- 41,43- 45,47- 53H,2- 8H2,1H3,(H,35,42) (H,36,46) (H,54,55) (H,56,57) /t10- ,11- ,12+,13+,14+,15+,17+,18+,19+,20- ,21+,22+,23+,24+,25+,26+,27+,28- ,29+,30- ,33+,34- /m0/s1 |
CLSOQKIKTQJAPA-QGXMHTBESA-N |
O1[C@H] ([C@H] (NC(=O) CO) [C@@H] (O) C[C@] 1(O[C@@H] 2[C@@H] (O) [C@@H] (O[C@@H] ([C@@H] 2O) CO) O[C@H] 3[C@H] (O) [C@@H] (O) [C@@H] (O[C@@H] 3CO) O) C(O) =O) [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) CO |
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Outgoing
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(2S,4S,5R,6R)- 6- [(1S,2R)- 2- [(2S,4S,5R,6R)- 5- Acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxy- 1,3- dihydroxypropyl]- 2- [(2R,3S,4S,5R,6S)- 3,5- dihydroxy- 2- (hydroxymethyl)- 6- [(2R,3S,4R,5R,6R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- yl]oxy- 4- hydroxy- 5- [(2- hydroxyacetyl)amino]oxane- 2- carboxylic acid
(CHEBI:148892)
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- >8)- 3,5- dideoxy- 5- glycolamido- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >3)- beta- D- galacto- hexopyranosyl- (1- >4)- beta- D- gluco- hexopyranose
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SUBMITTER
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NeuAc(a2-8)NeuGc(a2-3)Gal(b1-4)b-Glc
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SUBMITTER
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WURCS=2.0/4,4,3/[a2122h- 1b_1- 5][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCCO/3=O][Aad21122h- 2a_2- 6_5*NCC/3=O]/1- 2- 3- 4/a4- b1_b3- c2_c8- d2
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SUBMITTER
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