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CHEBI:155683 - (2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4-hydroxy-5-sulfooxy-2-sulfooxycarbonyloxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:155683
ChEBI Name(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4-hydroxy-5-sulfooxy-2-sulfooxycarbonyloxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H51N3O49S8
Net Charge0
Average Mass1494.246
Monoisotopic Mass1492.93568
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)C(O)O[C@@H]4CO)O[C@H]3C(=O)OS(=O)(=O)O)O[C@@H]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/5,5,4/[a2122h-1x_1-5_2*NSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O_6*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5][a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O]/1-2-3-4-5/a4-b1_b4-c1_c4-d1_d4-e1
InChIInChI=1S/C30H51N3O49S8/c34-1-4-16(12(37)7(25(43)71-4)31-83(45,46)47)74-30-21(81-89(63,64)65)15(40)20(23(79-30)26(44)82-90(66,67)68)77-28-9(33-85(51,52)53)18(80-88(60,61)62)17(6(73-28)3-70-87(57,58)59)75-29-14(39)13(38)19(22(78-29)24(41)42)76-27-8(32-84(48,49)50)11(36)10(35)5(72-27)2-69-86(54,55)56/h4-23,25,27-40,43H,1-3H2,(H,41,42)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20+,21-,22+,23-,25?,27-,28-,29-,30-/m1/s1
InChIKeyUXQUWQSADVWDJR-DAMGYJCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4-hydroxy-5-sulfooxy-2-sulfooxycarbonyloxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid (CHEBI:155683) is a oligosaccharide sulfate (CHEBI:37909)
Manual XrefsDatabases
G99424FVGlyTouCan
G99424FVGlyGen