|
(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3S,4R,5R,6S)- 5- 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- 6- [(2S,3R,4S,5S,6R)- 2- [(2R,3R,4R,5R)- 5,6- dihydroxy- 2- (hydroxymethyl)- 4- [(2S,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxyoxan- 3- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 3- hydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
|
CHEBI:151662 |
|
 
This entity has been manually annotated by a third party.
|
|
Gareth Owen
|
|
No supplier information found for this compound. |
|
Molfile
XML
SDF
|
|
|
|
InChI=1S/C54H89N3O41/c1- 13- 28(70) 34(76) 35(77) 48(87- 13) 95- 45- 36(78) 46(81) 88- 23(11- 62) 39(45) 92- 49- 37(79) 43(31(73) 21(9- 60) 89- 49) 94- 47- 27(57- 16(4) 65) 40(33(75) 24(91- 47) 12- 86- 53(51(82) 83) 5- 17(66) 25(55- 14(2) 63) 41(96- 53) 29(71) 19(68) 7- 58) 93- 50- 38(80) 44(32(74) 22(10- 61) 90- 50) 98- 54(52(84) 85) 6- 18(67) 26(56- 15(3) 64) 42(97- 54) 30(72) 20(69) 8- 59/h13,17- 50,58- 62,66- 81H,5- 12H2,1- 4H3,(H,55,63) (H,56,64) (H,57,65) (H,82,83) (H,84,85) /t13- ,17- ,18- ,19+,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- ,53+,54- /m0/s1 |
OVGFXQYPIKZPFJ-HCXBLTNNSA-N |
O([C@@H] 1[C@@H] (NC(=O) C) [C@@H] (O[C@@H] ([C@H] 1O) CO[C@] 2(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C2) [C@H] (O) [C@H] (O) CO) C(O) =O) O[C@@H] 3[C@@H] (O) [C@@H] (O[C@@H] ([C@@H] 3O) CO) O[C@H] 4[C@H] (O[C@@H] 5O[C@H] ([C@@H] (O) [C@@H] (O) [C@@H] 5O) C) [C@@H] (O) C(O[C@@H] 4CO) O) [C@@H] 6O[C@@H] ([C@H] (O) [C@H] (O[C@] 7(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C7) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] 6O) CO |
|
Outgoing
|
(2R,4S,5R,6R)- 5- Acetamido- 2- [[(2R,3S,4R,5R,6S)- 5- 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- 6- [(2S,3R,4S,5S,6R)- 2- [(2R,3R,4R,5R)- 5,6- dihydroxy- 2- (hydroxymethyl)- 4- [(2S,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxyoxan- 3- yl]oxy- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 3- hydroxyoxan- 2- yl]methoxy]- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:151662)
is a
neuraminic acids
(CHEBI:25508)
|
|
5- acetamido- 3,5- dideoxy- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >3)- beta- D- galacto- hexopyranosyl- (1- >3)- [5- acetamido- 3,5- dideoxy- D- glycero- alpha- D- galacto- non- 2- ulopyranosylonic acid- (2- >6)]- 2- acetamido- 2- deoxy- beta- D- gluco- hexopyranosyl- (1- >3)- beta- D- galacto- hexopyranosyl- (1- >4)- [6- deoxy- alpha- L- galacto- hexopyranosyl- (1- >3)]- D- gluco- hexopyranose
|
SUBMITTER
|
NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]Glc
|
SUBMITTER
|
WURCS=2.0/5,7,6/[a2122h- 1x_1- 5][a1221m- 1a_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- 4- 3- 5- 5/a3- b1_a4- c1_c3- d1_d3- e1_d6- g2_e3- f2
|
SUBMITTER
|
|