[(2R,3S,4R,5R,6R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:157252)

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CHEBI:157252 - [(2R,3S,4R,5R,6R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxyoxan-2-yl]methyl hydrogen sulfate

ChEBI ID	CHEBI:157252
ChEBI Name	[(2R,3S,4R,5R,6R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxyoxan-2-yl]methyl hydrogen sulfate
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C48H83N3O38S
Net Charge	0
Average Mass	1342.242
Monoisotopic Mass	1341.43753
SMILES	CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCS	WURCS=2.0/5,7,6/[h2112h_2NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O_6OSO/3=O/3=O][a2122h-1b_1-5_2NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-2-5/a3-b1_a6-c1_c4-d1_d3-e1_e4-f1_f2-g1
InChI	InChI=1S/C48H83N3O38S/c1-12-25(61)32(68)35(71)45(79-12)89-42-34(70)28(64)19(7-54)82-48(42)87-39-21(9-56)83-44(24(31(39)67)51-15(4)59)88-41-29(65)20(8-55)81-47(37(41)73)86-40-22(11-78-90(74,75)76)84-43(23(30(40)66)50-14(3)58)77-10-17(60)26(62)38(16(5-52)49-13(2)57)85-46-36(72)33(69)27(63)18(6-53)80-46/h12,16-48,52-56,60-73H,5-11H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75,76)/t12-,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-/m0/s1
InChIKey	SRQYJQPPAPVUQC-QQBRSRAESA-N

ChEBI Ontology

Outgoing Relation(s)

[(2R,3S,4R,5R,6R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:157252) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)

Manual Xrefs	Databases
G76031FX	GlyGen
G76031FX	GlyTouCan