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CHEBI:223438 - Fradimycin A

ChEBI IDCHEBI:223438
ChEBI NameFradimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H42O14
Net Charge0
Average Mass734.751
Monoisotopic Mass734.25746
SMILESCC(=O)[C@@]1(C)O[C@@H](C)[C@H](/C=C/C=C/C=C/C(=O)O[C@H]2CC[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O)C(=O)[C@H](O)[C@](C)(O)C[C@@]4(O)C=C3)O[C@@H]2C)O1
InChIInChI=1S/C39H42O14/c1-19-25(51-28(41)11-9-7-6-8-10-26-20(2)52-37(5,53-26)21(3)40)14-15-27(50-19)22-12-13-23-29(31(22)42)32(43)24-16-17-38(48)18-36(4,47)34(45)35(46)39(38,49)30(24)33(23)44/h6-13,16-17,19-20,25-27,34,42,45,47-49H,14-15,18H2,1-5H3/b7-6+,10-8+,11-9+/t19-,20+,25+,26+,27-,34+,36-,37+,38+,39-/m1/s1
InChIKeyNTFLICHOHDNVDL-RGCLKTORSA-N
Species of MetaboliteComponentSourceComments
Streptomyces fradiae (ncbitaxon:1906) - PubMed (23203266)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Fradimycin A (CHEBI:223438) is a angucycline (CHEBI:48130)
IUPAC Name 
[(2R,3S,6R)-6-[(2R,3R,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyloxan-3-yl] (2E,4E,6E)-7-[(2S,4S,5S)-2-acetyl-2,5-dimethyl-1,3-dioxolan-4-yl]hepta-2,4,6-trienoate
Manual XrefsDatabases
78437724ChemSpider