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CHEBI:227234 - Epothilone A 3-alpha-D-arabinofuranoside

ChEBI IDCHEBI:227234
ChEBI NameEpothilone A 3-alpha-D-arabinofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H47NO10S
Net Charge0
Average Mass625.781
Monoisotopic Mass625.29207
SMILESC/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](OC2OC(CO)C(O)C2O)CC(=O)O1
InChIInChI=1S/C31H47NO10S/c1-15-8-7-9-20-22(39-20)11-21(16(2)10-19-14-43-18(4)32-19)40-25(34)12-24(31(5,6)29(38)17(3)26(15)35)42-30-28(37)27(36)23(13-33)41-30/h10,14-15,17,20-24,26-28,30,33,35-37H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,20+,21-,22-,23?,24-,26-,27?,28?,30?/m0/s1
InChIKeyCZMSBQPHLMPWJG-AXQOFCALSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (19575038)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Epothilone A 3-alpha-D-arabinofuranoside (CHEBI:227234) is a epothilone (CHEBI:60831)
IUPAC Name 
(1S,3S,7S,10R,11S,12S,16R)-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Manual XrefsDatabases
78445232ChemSpider