CHEBI:155553 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3S,4R,5R)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-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-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]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 Name (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3S,4R,5R)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-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-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]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 ID CHEBI:155553
Stars This entity has been manually annotated by a third party.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
Formula C97H161N5O71
Net Charge 0
Average Mass 2533.319
Monoisotopic Mass 2531.91414
InChI InChI=1S/C97H161N5O71/c1-21-46(118)58(130)64(136)87(150-21)147-19-40-75(166-91-68(140)62(134)53(125)39(161-91)20-149-97(96(145)146)9-29(116)41(98-24(4)111)77(173-97)49(121)30(117)10-103)57(129)44(101-27(7)114)86(162-40)171-81-63(135)52(124)33(13-106)156-94(81)148-18-38-54(126)80(71(143)93(160-38)167-76-37(17-110)153-83(144)45(102-28(8)115)78(76)168-92-70(142)79(48(120)23(3)152-92)169-88-65(137)59(131)47(119)22(2)151-88)170-95-82(172-85-43(100-26(6)113)56(128)73(35(15-108)158-85)165-90-67(139)61(133)51(123)32(12-105)155-90)69(141)74(36(16-109)159-95)163-84-42(99-25(5)112)55(127)72(34(14-107)157-84)164-89-66(138)60(132)50(122)31(11-104)154-89/h21-23,29-95,103-110,116-144H,9-20H2,1-8H3,(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,145,146)/t21-,22-,23-,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-,86?,87+,88-,89-,90-,91-,92-,93?,94?,95+,97+/m0/s1
InChIKey WZRKKNQLUFDIJX-RIDBRXKWSA-N
SMILES O([C@@H]1[C@H](O)C(O[C@H]2[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@@H]3O)C)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)O[C@@H]([C@H]1O)COC5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5OC6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO[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](O)[C@H]6NC(=O)C)CO[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)CO)[C@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@@H]%10O[C@@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@H](O)[C@H](O)[C@H]%14O)CO)[C@H](O)[C@H]%13NC(=O)C)CO)CO
ChEBI Ontology
Outgoing (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R)-5-acetamido-6-[(3S,4S,5S,6R)-2-[[(2R,3R,4S,5S)-6-[(2R,3S,4R,5R)-5-acetamido-4-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-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-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]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:155553) is a polysaccharide (CHEBI:18154)
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->2)-D-manno-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)]-D-manno-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranose SUBMITTER
NeuAc(a2-6)Gal(b1-4)[Fuc(a1-6)]GlcNAc(?1-2)Man(?1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(?1-4)[Fuc(a1-3)Fuc(a1-3)]GlcNAc SUBMITTER
WURCS=2.0/7,14,13/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-3-4-5-6-5-6-3-1-6-7-2/a3-b1_a4-d1_b3-c1_d3-e1_d6-j1_e2-f1_e4-h1_f4-g1_h4-i1_j2-k1_k4-l1_k6-n1_l6-m2 SUBMITTER
Manual Xrefs Databases
G96010OZ GlyTouCan
G96010OZ GlyGen
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