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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4S,5S,6R)- 2- [(2S,3S,4S,5R,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4R,5R,6R)- 5- acetamido- 4,6- dihydroxy- 2- [[(2R,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxymethyl]oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,5- dihydroxy- 6- [[(2S,3S,4S,5S,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxymethyl]oxan- 4- yl]oxy- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- 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:151822 |
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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/C65H108N4O48/c1- 15- 33(82) 42(91) 45(94) 59(103- 15) 102- 14- 28- 51(39(88) 30(56(98) 104- 28) 67- 17(3) 77) 111- 57- 31(68- 18(4) 78) 40(89) 49(25(11- 74) 108- 57) 112- 61- 47(96) 53(38(87) 27(110- 61) 13- 101- 60- 46(95) 43(92) 35(84) 22(8- 71) 105- 60) 114- 63- 55(44(93) 36(85) 23(9- 72) 107- 63) 115- 58- 32(69- 19(5) 79) 41(90) 50(26(12- 75) 109- 58) 113- 62- 48(97) 54(37(86) 24(10- 73) 106- 62) 117- 65(64(99) 100) 6- 20(80) 29(66- 16(2) 76) 52(116- 65) 34(83) 21(81) 7- 70/h15,20- 63,70- 75,80- 98H,6- 14H2,1- 5H3,(H,66,76) (H,67,77) (H,68,78) (H,69,79) (H,99,100) /t15- ,20- ,21+,22+,23+,24+,25+,26+,27+,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+,65- /m0/s1 |
OXQHDGFARHFSPY-KCRBQVRTSA-N |
O([C@@H] 1[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] 3[C@H] (O) [C@@H] (NC(=O) C) [C@@H] (O[C@@H] 3CO[C@@H] 4O[C@H] ([C@@H] (O) [C@@H] (O) [C@@H] 4O) C) O) O[C@@H] ([C@H] 1O) CO[C@H] 5O[C@@H] ([C@@H] (O) [C@H] (O) [C@@H] 5O) CO) [C@H] 6O[C@@H] ([C@@H] (O) [C@H] (O) [C@@H] 6O[C@@H] 7O[C@@H] ([C@@H] (O[C@@H] 8O[C@@H] ([C@H] (O) [C@H] (O[C@] 9(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C9) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] 8O) CO) [C@H] (O) [C@H] 7NC(=O) C) CO) CO |
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Outgoing
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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4S,5S,6R)- 2- [(2S,3S,4S,5R,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2R,3S,4R,5R,6R)- 5- acetamido- 4,6- dihydroxy- 2- [[(2R,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxymethyl]oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy- 3,5- dihydroxy- 6- [[(2S,3S,4S,5S,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxymethyl]oxan- 4- yl]oxy- 4,5- dihydroxy- 6- (hydroxymethyl)oxan- 3- yl]oxy- 4- hydroxy- 2- (hydroxymethyl)oxan- 3- 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:151822)
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- >4)- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >2)- alpha- D- manno- hexopyranosyl- (1- >3)- [alpha- D- manno- hexopyranosyl- (1- >6)]- beta- D- manno- hexopyranosyl- (1- >4)- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >4)- [6- deoxy- alpha- L- galacto- hexopyranosyl- (1- >6)]- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranose
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SUBMITTER
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NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAc
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SUBMITTER
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WURCS=2.0/6,9,8/[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][a1221m- 1a_1- 5]/1- 1- 2- 3- 1- 4- 5- 3- 6/a4- b1_a6- i1_b4- c1_c3- d1_c6- h1_d2- e1_e4- f1_f3- g2
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SUBMITTER
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