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CHEBI:184918 - N-Trifluoroacetyladriamycinol

ChEBI IDCHEBI:184918
ChEBI NameN-Trifluoroacetyladriamycinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30F3NO12
Net Charge0
Average Mass641.548
Monoisotopic Mass641.17201
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1
InChIInChI=1S/C29H30F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15-17,22,34-36,38,40,42H,6-9H2,1-2H3,(H,33,41)
InChIKeyTWMWXCYMYAQOTO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-Trifluoroacetyladriamycinol (CHEBI:184918) is a anthracycline (CHEBI:48120)
IUPAC Name 
N-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-triluoroacetamide
Manual XrefsDatabases
HMDB0060586HMDB
90280ChemSpider