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CHEBI:180784 - Uridine diphosphate acetylgalactosamine 4-sulfate

ChEBI IDCHEBI:180784
ChEBI NameUridine diphosphate acetylgalactosamine 4-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27N3O20P2S
Net Charge0
Average Mass687.419
Monoisotopic Mass687.03838
SMILESCC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@H]1[C@@H](O)[C@H](n2ccc(=O)nc2=O)O[C@@H]1COP(=O)(O)OP(=O)(O)O)[C@H](O)CO
InChIInChI=1S/C17H27N3O20P2S/c1-6(22)11(25)10(18)12(26)14(7(23)4-21)38-43(34,35)39-15-8(5-36-42(32,33)40-41(29,30)31)37-16(13(15)27)20-3-2-9(24)19-17(20)28/h2-3,7-8,10,12-16,21,23,26-27H,4-5,18H2,1H3,(H,32,33)(H,19,24,28)(H2,29,30,31)/t7-,8-,10+,12-,13-,14+,15-,16-/m1/s1
InChIKeyMVHRGUAARHOHCJ-JANKDUHBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
Uridine diphosphate acetylgalactosamine 4-sulfate (CHEBI:180784) is a pyrimidine ribonucleoside diphosphate (CHEBI:26442)
IUPAC Name 
[(2R,3S,4R,5R)-3-[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl]oxysulonyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Manual XrefsDatabases
UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATEMetaCyc
HMDB0000934HMDB
17216024ChemSpider
C04426KEGG COMPOUND