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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4S,5R,6S)- 2- [[(2R,3R,4R,5S,6R)- 3- acetamido- 6- (hydroxymethyl)- 5- [(2S,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 4- [(2S,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxyoxan- 2- yl]oxymethyl]- 3,5- dihydroxy- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- 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:154678 |
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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/C49H82N2O38/c1- 11- 23(61) 28(66) 32(70) 44(78- 11) 86- 39- 22(51- 13(3) 58) 43(82- 19(9- 56) 37(39) 85- 45- 33(71) 29(67) 25(63) 16(6- 53) 80- 45) 77- 10- 20- 27(65) 40(34(72) 46(83- 20) 84- 36- 18(8- 55) 79- 42(74) 31(69) 30(36) 68) 87- 47- 35(73) 41(26(64) 17(7- 54) 81- 47) 89- 49(48(75) 76) 4- 14(59) 21(50- 12(2) 57) 38(88- 49) 24(62) 15(60) 5- 52/h11,14- 47,52- 56,59- 74H,4- 10H2,1- 3H3,(H,50,57) (H,51,58) (H,75,76) /t11- ,14- ,15+,16+,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- ,49- /m0/s1 |
VBSXMJAIGNBXBZ-QSNWHAGISA-N |
O([C@H] 1[C@@H] (O) [C@H] (O[C@@H] (O[C@H] 2[C@H] (O) [C@@H] (O) C(O[C@@H] 2CO) O) [C@@H] 1O) CO[C@@H] 3O[C@@H] ([C@@H] (O[C@@H] 4O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 4O) CO) [C@H] (O[C@@H] 5O[C@H] ([C@@H] (O) [C@@H] (O) [C@@H] 5O) C) [C@H] 3NC(=O) C) CO) [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 |
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Outgoing
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(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4S,5R,6S)- 2- [[(2R,3R,4R,5S,6R)- 3- acetamido- 6- (hydroxymethyl)- 5- [(2S,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxy- 4- [(2S,3S,4R,5S,6S)- 3,4,5- trihydroxy- 6- methyloxan- 2- yl]oxyoxan- 2- yl]oxymethyl]- 3,5- dihydroxy- 6- [(2R,3S,4R,5R)- 4,5,6- trihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxyoxan- 4- 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:154678)
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)- [6- deoxy- alpha- L- galacto- hexopyranosyl- (1- >3)- [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)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc
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SUBMITTER
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WURCS=2.0/5,7,6/[a2122h- 1x_1- 5][a2112h- 1b_1- 5][Aad21122h- 2a_2- 6_5*NCC/3=O][a2122h- 1b_1- 5_2*NCC/3=O][a1221m- 1a_1- 5]/1- 2- 2- 3- 4- 5- 2/a4- b1_b3- c1_b6- e1_c3- d2_e3- f1_e4- g1
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SUBMITTER
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