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(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3R,4S,5R,6S)- 6- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2S,3S,4S,5S,6R)- 2- [[(2R,3R,4S,5S,6S)- 4- [(2R,3S,4S,5S,6R)- 3- [(2S,3R,4R,5S,6R)- 3- acetamido- 5- [(2S,3R,4S,5R,6R)- 6- [[(2R,4S,5R,6R)- 5- acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxymethyl]- 3,4,5- trihydroxyoxan- 2- yl]oxy- 4- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 6- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4R,5S)- 5- acetamido- 1,2,4,6- tetrahydroxyhexan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,5- dihydroxyoxan- 2- yl]methoxy]- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,4,5- trihydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
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CHEBI:147027 |
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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/C84H140N6O62/c1- 21(100) 85- 27(9- 91) 46(111) 64(32(110) 12- 94) 144- 73- 43(88- 24(4) 103) 54(119) 67(37(17- 99) 138- 73) 147- 78- 63(128) 70(148- 80- 72(60(125) 50(115) 34(14- 96) 137- 80) 150- 75- 45(90- 26(6) 105) 56(121) 66(36(16- 98) 140- 75) 146- 77- 62(127) 58(123) 52(117) 40(143- 77) 20- 135- 84(82(131) 132) 8- 29(107) 42(87- 23(3) 102) 69(152- 84) 48(113) 31(109) 11- 93) 53(118) 38(141- 78) 18- 133- 79- 71(59(124) 49(114) 33(13- 95) 136- 79) 149- 74- 44(89- 25(5) 104) 55(120) 65(35(15- 97) 139- 74) 145- 76- 61(126) 57(122) 51(116) 39(142- 76) 19- 134- 83(81(129) 130) 7- 28(106) 41(86- 22(2) 101) 68(151- 83) 47(112) 30(108) 10- 92/h27- 80,91- 99,106- 128H,7- 20H2,1- 6H3,(H,85,100) (H,86,101) (H,87,102) (H,88,103) (H,89,104) (H,90,105) (H,129,130) (H,131,132) /t27- ,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+,70- ,71- ,72- ,73- ,74- ,75- ,76- ,77- ,78- ,79- ,80+,83+,84+/m0/s1 |
FXPHBLZSPJQIES-YEUWVLACSA-N |
O([C@H] 1[C@H] (O) [C@H] (O[C@@H] (O[C@H] 2[C@H] (O) [C@@H] (NC(=O) C) [C@@H] (O[C@@H] 2CO) O[C@@H] ([C@H] (O) [C@@H] (NC(=O) C) CO) [C@H] (O) CO) [C@H] 1O) CO[C@H] 3O[C@@H] ([C@@H] (O) [C@H] (O) [C@@H] 3O[C@@H] 4O[C@@H] ([C@@H] (O[C@@H] 5O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 5O) CO[C@] 6(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C6) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] (O) [C@H] 4NC(=O) C) CO) CO) [C@H] 7O[C@@H] ([C@@H] (O) [C@H] (O) [C@@H] 7O[C@@H] 8O[C@@H] ([C@@H] (O[C@@H] 9O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 9O) CO[C@] % 10(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C% 10) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] (O) [C@H] 8NC(=O) C) CO) CO |
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Outgoing
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(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3R,4S,5R,6S)- 6- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2S,3S,4S,5S,6R)- 2- [[(2R,3R,4S,5S,6S)- 4- [(2R,3S,4S,5S,6R)- 3- [(2S,3R,4R,5S,6R)- 3- acetamido- 5- [(2S,3R,4S,5R,6R)- 6- [[(2R,4S,5R,6R)- 5- acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxymethyl]- 3,4,5- trihydroxyoxan- 2- yl]oxy- 4- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 6- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4R,5S)- 5- acetamido- 1,2,4,6- tetrahydroxyhexan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,5- dihydroxyoxan- 2- yl]methoxy]- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,4,5- trihydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:147027)
is a
neuraminic acids
(CHEBI:25508)
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WURCS=2.0/6,11,10/[h2122h_2*NCC/3=O][a2122h- 1b_1- 5_2*NCC/3=O][a1122h- 1b_1- 5][a1122h- 1a_1- 5][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCC/3=O]/1- 2- 3- 4- 2- 5- 6- 4- 2- 5- 6/a4- b1_b4- c1_c3- d1_c6- h1_d2- e1_e4- f1_f6- g2_h2- i1_i4- j1_j6- k2
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SUBMITTER
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