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(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3R,4S,5R,6S)- 6- [(2R,3S,4R,5R,6R)- 5- acetamido- 6- [[(2R,3S,4S,5R,6S)- 4- [(2S,3R,4R,5S,6R)- 3- acetamido- 4- [(2R,3R,4S,5S,6R)- 4- [(2S,4S,5R,6R)- 5- acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 3,5- dihydroxy- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 2- yl]methoxy]- 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:146090 |
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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/C62H102N4O47/c1- 15(73) 63- 29- 19(77) 5- 61(59(95) 96,111- 49(29) 33(81) 21(79) 7- 67) 100- 14- 28- 35(83) 40(88) 43(91) 56(106- 28) 107- 46- 26(12- 72) 104- 54(31(39(46) 87) 65- 17(3) 75) 99- 13- 27- 38(86) 51(44(92) 57(105- 27) 108- 47- 25(11- 71) 101- 53(94) 42(90) 41(47) 89) 110- 55- 32(66- 18(4) 76) 48(36(84) 23(9- 69) 102- 55) 109- 58- 45(93) 52(37(85) 24(10- 70) 103- 58) 113- 62(60(97) 98) 6- 20(78) 30(64- 16(2) 74) 50(112- 62) 34(82) 22(80) 8- 68/h19- 58,67- 72,77- 94H,5- 14H2,1- 4H3,(H,63,73) (H,64,74) (H,65,75) (H,66,76) (H,95,96) (H,97,98) /t19- ,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- ,61+,62- /m0/s1 |
QGRQACRBVVSINU-OYSGDHNXSA-N |
O([C@@H] 1[C@@H] (NC(=O) C) [C@H] (O[C@H] 2[C@@H] (O) [C@H] (O[C@@H] (O[C@H] 3[C@H] (O) [C@@H] (O) C(O[C@@H] 3CO) O) [C@@H] 2O) CO[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) O[C@@H] ([C@H] 1O) CO) [C@@H] 7O[C@@H] ([C@H] (O) [C@H] (O[C@] 8(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C8) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] 7O) 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,6R)- 5- acetamido- 6- [[(2R,3S,4S,5R,6S)- 4- [(2S,3R,4R,5S,6R)- 3- acetamido- 4- [(2R,3R,4S,5S,6R)- 4- [(2S,4S,5R,6R)- 5- acetamido- 2- carboxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxan- 2- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 5- hydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 3,5- dihydroxy- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 2- yl]methoxy]- 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:146090)
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- >3)- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >3)- [5- acetamido- 3,5- dideoxy- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >6)- beta- D- galacto- hexopyranosyl- (1- >4)- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >6)]- beta- D- galacto- hexopyranosyl- (1- >4)- D- gluco- hexopyranose
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SUBMITTER
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NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)Glc
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SUBMITTER
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WURCS=2.0/4,8,7/[a2122h- 1x_1- 5][a2112h- 1b_1- 5][a2122h- 1b_1- 5_2*NCC/3=O][Aad21122h- 2a_2- 6_5*NCC/3=O]/1- 2- 3- 2- 4- 3- 2- 4/a4- b1_b3- c1_b6- f1_c3- d1_d3- e2_f4- g1_g6- h2
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SUBMITTER
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