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CHEBI:150927 - (4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:150927
ChEBI Name(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC51H85N3O39
Net Charge0
Average Mass1364.223
Monoisotopic Mass1363.47602
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(O[C@H]2[C@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](NC(C)=O)C(O[C@H]3[C@@H](O)[C@@H](COC4O[C@H](CO)[C@@H](O)[C@H](OC5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)OC(O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)(C(=O)O)C[C@@H]1O
WURCSWURCS=2.0/4,7,6/[a2122h-1x_1-5][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCC/3=O]/1-2-3-2-4-3-2/a4-b1_b3-c1_b6-f1_c3-d1_c4-e2_f3-g1
InChIInChI=1S/C51H85N3O39/c1-12(61)52-23-15(64)4-51(50(79)80,93-41(23)26(66)16(65)5-55)92-39-21(10-60)86-46(25(54-14(3)63)42(39)90-48-36(76)32(72)28(68)18(7-57)85-48)91-43-30(70)22(87-49(37(43)77)88-38-20(9-59)82-44(78)34(74)33(38)73)11-81-45-24(53-13(2)62)40(29(69)19(8-58)83-45)89-47-35(75)31(71)27(67)17(6-56)84-47/h15-49,55-60,64-78H,4-11H2,1-3H3,(H,52,61)(H,53,62)(H,54,63)(H,79,80)/t15-,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?,48?,49?,51?/m0/s1
InChIKeyOZYBDJOSQUCUBU-YCSHOMLMSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-6-[(2R,3S,4S,5R)-2-[[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-2-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CHEBI:150927) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranoseSUBMITTER
Gal(?1-3)[NeuAc(?2-4)]GlcNAc(?1-3)[Gal(?1-3)GlcNAc(?1-6)]Gal(?1-4)GlcSUBMITTER
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