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CHEBI:155264 - (2R,3R,4R)-2-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:155264
ChEBI Name(2R,3R,4R)-2-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-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](COS(=O)(=O)O)[C@@H](O[C@@H]2OC(C(=O)O)=C(O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C14H21NO18S2/c1-3(16)15-5-6(17)9(4(30-13(5)22)2-29-34(23,24)25)31-14-11(33-35(26,27)28)8(19)7(18)10(32-14)12(20)21/h4-6,8-9,11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6-,8+,9-,11-,13?,14-/m1/s1
InChIKeyHWHNFKDKCCWIGS-DHJMXQCPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R)-2-[(2R,3S,4R,5R)-5-Acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:155264) is a amino sugar (CHEBI:28963)
Manual XrefsDatabases
G97826JJGlyTouCan
G97826JJGlyGen