EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226155 - Sparoxomycin A2

ChEBI IDCHEBI:226155
ChEBI NameSparoxomycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N3O6S2
Net Charge0
Average Mass377.444
Monoisotopic Mass377.07153
SMILESCc1nc(=O)nc(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)C[S@](C)=O
InChIInChI=1S/C13H19N3O6S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23-,24-/m0/s1
InChIKeyZIMCIWWBWLSQCN-OUORQFMTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8982337)
ChEBI Ontology
Outgoing Relation(s)
Sparoxomycin A2 (CHEBI:226155) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(E)-N-[(2S)-1-hydroxy-3-[(R)-[(R)-methylsulinyl]methylsulinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Manual XrefsDatabases
8747026ChemSpider