|
(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2S,3S,4S,5S,6R)- 2- [[(2R,3R,4S,5S,6S)- 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- 4- [(2R,3S,4S,5S,6R)- 3,5- bis[[(2S,3R,4R,5S,6R)- 3- acetamido- 4- hydroxy- 6- (hydroxymethyl)- 5- [(2S,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxyoxan- 2- yl]oxy]- 4- hydroxy- 6- (hydroxymethyl)oxan- 2- 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- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid |
|
CHEBI:155609 |
|
![](images/goldenstar.gif) ![](images/goldenstar.gif)
This entity has been manually annotated by a third party.
|
|
Gareth Owen
|
|
|
|
Molfile
XML
SDF
|
|
|
|
InChI=1S/C87H146N6O64/c1- 21(106) 88- 27(8- 94) 46(115) 65(30(114) 10- 96) 147- 76- 42(90- 23(3) 108) 53(122) 68(37(17- 103) 141- 76) 151- 82- 63(132) 72(52(121) 40(146- 82) 20- 136- 84- 74(59(128) 50(119) 33(13- 99) 140- 84) 154- 78- 44(92- 25(5) 110) 56(125) 69(38(18- 104) 143- 78) 152- 83- 64(133) 73(51(120) 34(14- 100) 139- 83) 157- 87(86(134) 135) 7- 28(112) 41(89- 22(2) 107) 71(156- 87) 47(116) 29(113) 9- 95) 153- 85- 75(155- 79- 45(93- 26(6) 111) 55(124) 67(36(16- 102) 144- 79) 150- 81- 61(130) 58(127) 49(118) 32(12- 98) 138- 81) 62(131) 70(39(19- 105) 145- 85) 148- 77- 43(91- 24(4) 109) 54(123) 66(35(15- 101) 142- 77) 149- 80- 60(129) 57(126) 48(117) 31(11- 97) 137- 80/h27- 85,94- 105,112- 133H,7- 20H2,1- 6H3,(H,88,106) (H,89,107) (H,90,108) (H,91,109) (H,92,110) (H,93,111) (H,134,135) /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- ,81- ,82- ,83- ,84- ,85+,87- /m0/s1 |
RCJUKUVDLVUDRA-QAGZPQSHSA-N |
O([C@H] 1O[C@@H] ([C@@H] (O[C@@H] 2O[C@@H] ([C@@H] (O[C@@H] 3O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 3O) CO) [C@H] (O) [C@H] 2NC(=O) C) CO) [C@H] (O) [C@@H] 1O[C@@H] 4O[C@@H] ([C@@H] (O[C@@H] 5O[C@@H] ([C@H] (O) [C@H] (O) [C@H] 5O) CO) [C@H] (O) [C@H] 4NC(=O) C) CO) CO) [C@H] 6[C@H] (O) [C@H] (O[C@@H] (O[C@H] 7[C@H] (O) [C@@H] (NC(=O) C) [C@@H] (O[C@@H] 7CO) O[C@@H] ([C@H] (O) [C@@H] (NC(=O) C) CO) [C@H] (O) CO) [C@H] 6O) CO[C@H] 8O[C@@H] ([C@@H] (O) [C@H] (O) [C@@H] 8O[C@@H] 9O[C@@H] ([C@@H] (O[C@@H] % 10O[C@@H] ([C@H] (O) [C@H] (O[C@] % 11(O[C@H] ([C@H] (NC(=O) C) [C@@H] (O) C% 11) [C@H] (O) [C@H] (O) CO) C(O) =O) [C@H] % 10O) CO) [C@H] (O) [C@H] 9NC(=O) C) CO) CO |
|
Outgoing
|
(2S,4S,5R,6R)- 5- Acetamido- 2- [(2S,3R,4S,5S,6R)- 2- [(2R,3S,4R,5R,6S)- 5- acetamido- 6- [(2S,3S,4S,5S,6R)- 2- [[(2R,3R,4S,5S,6S)- 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- 4- [(2R,3S,4S,5S,6R)- 3,5- bis[[(2S,3R,4R,5S,6R)- 3- acetamido- 4- hydroxy- 6- (hydroxymethyl)- 5- [(2S,3R,4S,5R,6R)- 3,4,5- trihydroxy- 6- (hydroxymethyl)oxan- 2- yl]oxyoxan- 2- yl]oxy]- 4- hydroxy- 6- (hydroxymethyl)oxan- 2- 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- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
(CHEBI:155609)
is a
carbohydrates and carbohydrate derivatives
(CHEBI:78616)
|
|
WURCS=2.0/6,12,11/[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- 2- 5- 4- 2- 5- 6/a4- b1_b4- c1_c3- d1_c6- i1_d2- e1_d4- g1_e4- f1_g4- h1_i2- j1_j4- k1_k3- l2
|
SUBMITTER
|
|