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CHEBI:152548 - (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid

ChEBI IDCHEBI:152548
ChEBI Name(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H23NO21S3
Net Charge0
Average Mass637.525
Monoisotopic Mass636.99247
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](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_6*OSO/3=O/3=O][a2122A-1b_1-5_2*OSO/3=O/3=O]/1-2/a3-b1
InChIInChI=1S/C14H23NO21S3/c1-3(16)15-5-9(8(35-38(25,26)27)4(32-13(5)21)2-31-37(22,23)24)33-14-11(36-39(28,29)30)7(18)6(17)10(34-14)12(19)20/h4-11,13-14,17-18,21H,2H2,1H3,(H,15,16)(H,19,20)(H,22,23,24)(H,25,26,27)(H,28,29,30)/t4-,5-,6+,7+,8+,9-,10+,11-,13?,14-/m1/s1
InChIKeyNVAHDTJFGGWICQ-MHZHEAOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid (CHEBI:152548) is a amino sugar (CHEBI:28963)
Synonyms  Source
GlcA2S(b1-3)GalNAc4S6SSUBMITTER
2-O-sulfo-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galacto-hexopyranoseSUBMITTER
Manual XrefsDatabases
G59905YMGlyTouCan
G59905YMGlyGen