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(2S,4S,5R,6R)- 2- [(2R,3S,4R,5R,6S)- 3- [(2S,3R,4R,5R,6R)- 3- Acetamido- 4- [(2R,3R,4S,5S,6R)- 3,5- dihydroxy- 6- (hydroxymethyl)- 4- sulfooxyoxan- 2- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 5- hydroxy- 2- (hydroxymethyl)- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- yl]oxy- 4- hydroxy- 5- [(2- hydroxyacetyl)amino]- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
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CHEBI:147962 |
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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/C37H62N2O33S/c1- 9(46) 38- 18- 28(69- 34- 24(55) 30(72- 73(60,61) 62) 21(52) 13(5- 42) 65- 34) 20(51) 12(4- 41) 64- 33(18) 68- 27- 15(7- 44) 66- 35(67- 26- 14(6- 43) 63- 32(57) 23(54) 22(26) 53) 25(56) 31(27) 71- 37(36(58) 59) 2- 10(47) 17(39- 16(49) 8- 45) 29(70- 37) 19(50) 11(48) 3- 40/h10- 15,17- 35,40- 45,47- 48,50- 57H,2- 8H2,1H3,(H,38,46) (H,39,49) (H,58,59) (H,60,61,62) /t10- ,11+,12+,13+,14+,15+,17+,18+,19+,20- ,21- ,22+,23+,24+,25+,26+,27- ,28+,29+,30- ,31+,32?,33- ,34- ,35- ,37- /m0/s1 |
ONWZXSUQUOLELS-ALTPWQLXSA-N |
S(O[C@@H] 1[C@@H] (O) [C@H] (O[C@@H] 2[C@@H] (NC(=O) C) [C@H] (O[C@@H] 3[C@H] (O[C@] 4(O[C@H] ([C@H] (NC(=O) CO) [C@@H] (O) C4) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@@H] (O) [C@@H] (O[C@@H] 3CO) O[C@H] 5[C@H] (O) [C@@H] (O) C(O[C@@H] 5CO) O) O[C@@H] ([C@@H] 2O) CO) O[C@@H] ([C@@H] 1O) CO) (O) (=O) =O |
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Outgoing
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(2S,4S,5R,6R)- 2- [(2R,3S,4R,5R,6S)- 3- [(2S,3R,4R,5R,6R)- 3- Acetamido- 4- [(2R,3R,4S,5S,6R)- 3,5- dihydroxy- 6- (hydroxymethyl)- 4- sulfooxyoxan- 2- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 5- hydroxy- 2- (hydroxymethyl)- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- yl]oxy- 4- hydroxy- 5- [(2- hydroxyacetyl)amino]- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:147962)
is a
neuraminic acids
(CHEBI:25508)
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3- O- sulfo- beta- D- galacto- hexopyranosyl- (1- >3)- 2- acetamido- 2- deoxy- beta- D- galacto- hexopyranosyl- (1- >4)- [3,5- dideoxy- 5- glycolamido- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >3)]- beta- D- galacto- hexopyranosyl- (1- >4)- D- gluco- hexopyranose
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SUBMITTER
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Gal3S(b1-3)GalNAc(b1-4)[NeuGc(a2-3)]Gal(b1-4)Glc
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SUBMITTER
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WURCS=2.0/5,5,4/[a2122h- 1x_1- 5][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCCO/3=O][a2112h- 1b_1- 5_2*NCC/3=O][a2112h- 1b_1- 5_3*OSO/3=O/3=O]/1- 2- 3- 4- 5/a4- b1_b3- c2_b4- d1_d3- e1
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SUBMITTER
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