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CHEBI:153632 - (2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:153632
ChEBI Name(2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO18S2
Net Charge0
Average Mass555.445
Monoisotopic Mass555.02000
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1OC(C(=O)O)=C(O)[C@H](O)[C@H]1OS(=O)(=O)O
WURCSWURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H21NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-5,7-9,11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,7+,8+,9-,11-,13?,14-/m1/s1
InChIKeyRVAHDTDKGKDRJI-KGOWDALBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:153632) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G73979OIGlyTouCan
G73979OIGlyGen