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CHEBI:150333 - (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2,4,6-trihydroxy-1-sulfooxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)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 IDCHEBI:150333
ChEBI Name(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2,4,6-trihydroxy-1-sulfooxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC39H67N3O35S2
Net Charge0
Average Mass1202.085
Monoisotopic Mass1201.29965
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,5,4/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c4-d1_d6-e2
InChIInChI=1S/C39H67N3O35S2/c1-11(46)40-14(5-43)23(52)31(17(51)8-69-78(62,63)64)74-37-30(59)34(26(55)18(7-45)71-37)76-35-22(42-13(3)48)27(56)32(20(73-35)10-70-79(65,66)67)75-36-29(58)28(57)25(54)19(72-36)9-68-39(38(60)61)4-15(49)21(41-12(2)47)33(77-39)24(53)16(50)6-44/h14-37,43-45,49-59H,4-10H2,1-3H3,(H,40,46)(H,41,47)(H,42,48)(H,60,61)(H,62,63,64)(H,65,66,67)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,39+/m0/s1
InChIKeyXYVLSUNPQSJQQF-LYUASVACSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5S)-5-acetamido-2,4,6-trihydroxy-1-sulfooxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)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:150333) is a oligosaccharide sulfate (CHEBI:37909)
Manual XrefsDatabases
G38641UGGlyTouCan
G38641UGGlyGen